Color ConSurf Grade
      No Conservation data available
      1
      2
      3
      4
      5
      6
      7
      8
      9

Index: hub id, click on each number to highlight the corresponding hub in the 3D visualization.

Hub: the hub being considered.

Avg Int. Strength: the average interaction strength of all the links of the corresponding hub.

Num Of Links: the number of links of the corresponding hub.

Community: the id of the community the link belong to, otherwise 0.

ConSurf: this column reports the ConSurf conservation grades of each hub.

Index Hub Avg Int. Strength Num Of Links Community ConSurf
1L:L:?1 7.573081330
2M:M:?1 7.747331510
3P:P:V84 3.275427
4P:P:I85 2.46429726
5P:P:T88 3.48527
6P:P:V95 3.67409
7P:P:I96 3.3375406
8P:P:E102 4.4725476
9P:P:L105 4.982578
10P:P:N110 5.5475479
11P:P:Y111 6.524594
12P:P:F112 6.016528
13P:P:S115 6.385429
14P:P:D120 7.528509
15P:P:L123 3.706507
16P:P:G124 2.6325426
17P:P:V127 5.994528
18P:P:M128 4.13143728
19P:P:I135 4.7425425
20P:P:W141 6.445827
21P:P:P142 6.21523
22P:P:L143 4.505425
23P:P:C148 5.982529
24P:P:W151 5.015825
25P:P:I152 3.16429725
26P:P:Y153 5.95526
27P:P:L154 2.74425
28P:P:D155 10.4575428
29P:P:V156 4.43426
30P:P:L157 4.59833626
31P:P:F158 5.232527
32P:P:T160 2.49527
33P:P:I163 3.74628
34P:P:M164 3.12426
35P:P:H165 9.38428
36P:P:L166 4.702528
37P:P:R173 4.22409
38P:P:V199 3.6325426
39P:P:W200 5.37333629
40P:P:S203 3.188528
41P:P:I206 1.9025426
42P:P:S207 4.97427
43P:P:M208 4.0675464
44P:P:I210 3.945426
45P:P:K220 7.9563
46P:P:V221 3.3225423
47P:P:C227 4.28529
48P:P:S242 2.45526
49P:P:F243 6.15571728
50P:P:F244 5.985425
51P:P:P246 3.8475409
52P:P:M250 4.194528
53P:P:L325 3.8225428
54P:P:V328 2.326528
55P:P:F329 5.2275828
56P:P:F332 5.75529
57P:P:W336 7.8425828
58P:P:F339 7.508527
59P:P:F340 11.1833627
60P:P:L362 4.0225403
61P:P:N363 6.91424
62P:P:F365 5.955405
63P:P:V366 4.8475426
64P:P:W367 5.41444926
65P:P:Y370 7.97714727
66P:P:S373 3.76409
67P:P:P377 5.97409
68P:P:V379 3.715428
69P:P:Y380 7.845409
70P:P:F383 3.155427
71P:P:Y387 6.75143778
72P:P:F391 5.8625406
73P:P:Y394 4.1825474
74R:R:L79 1.5175404
75R:R:I85 4.76436
76R:R:T88 3.18437
77R:R:V95 3.51509
78R:R:A98 2.475447
79R:R:V99 3.02647
80R:R:L105 6.8825448
81R:R:N110 5.7525449
82R:R:F112 6.014128
83R:R:L116 4.71439
84R:R:D120 5.56833639
85R:R:L123 3.47714737
86R:R:V127 4.234538
87R:R:M128 3.96444938
88R:R:Y139 6.748503
89R:R:W141 6937
90R:R:P142 6.676533
91R:R:L143 4.534535
92R:R:L147 4.475435
93R:R:C148 6.6375439
94R:R:W151 4.96143735
95R:R:I152 3.59667635
96R:R:Y153 4.128536
97R:R:D155 10.4825438
98R:R:V156 4.335436
99R:R:L157 4.5175406
100R:R:F158 6.625637
101R:R:T160 2.526537
102R:R:S162 2.5725439
103R:R:H165 8.948538
104R:R:L166 3.892538
105R:R:R173 5.03254119
106R:R:Y174 3.64508
107R:R:T190 3.294155
108R:R:W200 5.7375439
109R:R:V204 2.215434
110R:R:S207 3.9225407
111R:R:M208 1.8175434
112R:R:I210 3.292536
113R:R:V221 2.4225433
114R:R:C227 3.692539
115R:R:L229 4.504534
116R:R:V235 2.88436
117R:R:S242 2.8825436
118R:R:F243 9.2025438
119R:R:F244 5.8125435
120R:R:M250 4.955438
121R:R:Y254 8.9425439
122R:R:I327 4.3025486
123R:R:F329 6.20333638
124R:R:F332 5.198539
125R:R:M335 1.895408
126R:R:W336 6.52938
127R:R:F339 5.36637
128R:R:F340 9.68833637
129R:R:N343 3.435437
130R:R:V347 3.395405
131R:R:C349 3.044173
132R:R:I358 3.284184
133R:R:L362 3.97433
134R:R:F365 5.988535
135R:R:V366 3.47436
136R:R:W367 5.70875836
137R:R:Y370 5.62375837
138R:R:S372 2.455439
139R:R:S373 3.3975439
140R:R:N376 6.5225409
141R:R:P377 5.565409
142R:R:V379 4.03488
143R:R:Y380 7.5625449
144R:R:F383 4.794587
145R:R:Y387 7.24625848
146R:R:F391 6.334546
147R:R:Y394 4.968544
148S:S:L71 6.155463
149S:S:K74 3.73566
150S:S:N75 5.514565
151S:S:L79 2.8404
152S:S:V84 2.85417
153S:S:I85 4.4416
154S:S:T88 2.38833617
155S:S:V95 4.5925409
156S:S:V99 4.2325457
157S:S:E102 5.272556
158S:S:L105 5.348558
159S:S:Y111 4.8175454
160S:S:F112 4.566518
161S:S:S115 4.14419
162S:S:L116 4.37419
163S:S:D120 6.0425419
164S:S:L123 2.568507
165S:S:V127 3.77333618
166S:S:M128 4.18375818
167S:S:V130 4.755414
168S:S:I135 3.7725415
169S:S:W141 6.59125817
170S:S:P142 5.026513
171S:S:L143 3.7225415
172S:S:C148 6.26519
173S:S:W151 5.2615
174S:S:I152 3.52715
175S:S:Y153 6.804516
176S:S:D155 9.895418
177S:S:V156 3.6425416
178S:S:L157 5.13406
179S:S:F158 5.3725407
180S:S:S162 2.9425419
181S:S:I163 3.135408
182S:S:H165 7.145418
183S:S:L166 3.648518
184S:S:R173 3.4954199
185S:S:I196 3.2275418
186S:S:W200 3.82167619
187S:S:I210 4.62516
188S:S:F213 7.786514
189S:S:V221 2.7375413
190S:S:F222 4.2412
191S:S:C227 5.254519
192S:S:L229 3.91833614
193S:S:F234 8.9375417
194S:S:V235 2.575416
195S:S:S239 3.208516
196S:S:F243 7.642518
197S:S:M250 6.075418
198S:S:Y254 7.3675409
199S:S:I258 5.3575405
200S:S:V328 3.2325418
201S:S:F329 6.546518
202S:S:F332 5.61519
203S:S:V333 2.2825406
204S:S:M335 1.9875408
205S:S:W336 7.30286718
206S:S:F339 7.38167617
207S:S:F340 9.945617
208S:S:N343 4.074517
209S:S:E355 2.4575413
210S:S:I358 2.764514
211S:S:F365 5.93405
212S:S:W367 6.76875816
213S:S:Y370 6.15857717
214S:S:S372 3.4225419
215S:S:S373 3.942519
216S:S:P377 3.802509
217S:S:Y380 9.305409
218S:S:Y387 6.87714758
219S:S:F391 6.574556
220S:S:R393 5.0725454
221S:S:Y394 7.58554
222U:U:?1 7.503571420
   

Color ConSurf Grade
      No Conservation data available
      1
      2
      3
      4
      5
      6
      7
      8
      9

Index: link id, click on each number to highlight the corresponding link in the 3D visualization.

Node1 Node2: the two nodes of the corresponding link.

Recurrence: the relative Recurrence in the pool of shortest paths.

Int. Strength: the interaction strength between the two nodes.

Hub1?, Hub2?: "Yes" if the corresponding node has more than 3 links, otherwise "No".

Community: the id of the community the link belong to, otherwise 0.

ConSurf1, ConSurf2: these columns report the ConSurf conservation grades of the two nodes involved in a link.

Index Node1 Node2 Recurrence Int. Strength Hub1? Hub2? Community ConSurf1 ConSurf2
1L:L:?1 R:R:Y370 16.82173.13YesYes307
2R:R:M128 R:R:Y370 27.37127.18YesYes387
3R:R:M128 R:R:T88 44.81276.02YesYes387
4R:R:A374 R:R:T88 94.37021.68NoYes067
5R:R:A374 R:R:L87 94.50431.58NoNo064
6R:R:L87 R:R:V83 94.63822.98NoNo044
7R:R:L79 R:R:V83 94.90531.49YesNo044
8R:R:L79 S:S:V204 95.30461.49YesNo044
9S:S:L157 S:S:V204 95.43732.98YesNo064
10S:S:F158 S:S:L157 88.89178.53YesYes076
11S:S:F158 S:S:L123 85.41183.65YesYes077
12S:S:L123 S:S:V127 26.64882.98YesYes078
13S:S:L123 S:S:S373 30.23581.5YesYes079
14S:S:V127 S:S:Y370 26.13412.52YesYes187
15S:S:G124 S:S:L123 26.17681.71NoYes067
16S:S:G124 S:S:M128 25.51065.24NoYes168
17S:S:M128 S:S:W367 61.91783.49YesYes186
18S:S:I135 S:S:W367 98.41732.35YesYes156
19S:S:I135 S:S:S77 97.72121.55YesNo053
20S:S:K74 S:S:S77 97.99841.53YesNo063
21S:S:K74 S:S:L71 98.52155.64YesYes663
22P:P:F213 S:S:L71 1009.74NoYes643
23P:P:F213 P:P:K220 99.380312.41NoYes643
24P:P:F234 P:P:K220 98.62576.2NoYes673
25P:P:F234 S:S:Q72 98.53444.68NoNo071
26P:P:I237 S:S:Q72 98.35551.37NoNo041
27P:P:G238 P:P:I237 97.9983.53NoNo064
28P:P:G238 P:P:S242 97.81881.86NoYes066
29P:P:S242 U:U:?1 60.88164.01YesYes260
30S:S:M128 S:S:S373 37.08483.07YesYes189
31S:S:W367 S:S:Y370 32.371410.61YesYes167
32P:P:F332 U:U:?1 23.90551.63YesYes290
33P:P:F332 P:P:L166 24.26946.09YesYes298
34P:P:L166 P:P:V328 15.86861.49YesYes288
35P:P:V328 P:P:V379 10.06381.6YesYes288
36P:P:S242 P:P:T160 36.11821.6YesYes267
37P:P:I118 P:P:S115 14.64761.55NoYes069
38P:P:I118 P:P:I96 13.73585.89NoYes066
39P:P:S203 P:P:T160 16.81794.8YesYes287
40P:P:I96 P:P:M114 13.12912.92YesNo065
41P:P:M114 P:P:Y111 12.26952.39NoYes054
42P:P:I163 P:P:T160 11.30011.52YesYes287
43S:S:D120 S:S:S373 13.001210.31YesYes199
44S:S:D120 S:S:N92 11.25746.73YesNo099
45R:R:D120 R:R:S373 36.48097.36YesYes399
46R:R:D120 R:R:N376 16.41054.04YesYes099
47R:R:N376 R:R:Y380 11.27248.14YesYes099
48R:R:V127 R:R:W151 10.96744.9YesYes385
49R:R:W141 R:R:W151 13.866910.31YesYes375
50R:R:L123 R:R:V127 12.57924.47YesYes378
51R:R:S373 R:R:T88 42.06253.2YesYes397
52R:R:D120 R:R:L116 12.85594.07YesYes399
Download PSN data

2D representation of the global metapath, ligand(s) interactions and
histograms of path distribution according to several parameters
(click on the image to enlarge it 🔍):

A 2D representation of the global communication in the network.

ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

Number of shortest communication paths as a function of the average residue correlation.

Number of shortest communication paths as a function of the average interaction strength of their links.

Number of shortest communication paths as a function of the % of hub nodes in each path.

Number of shortest communication paths as a function of the number of nodes in each path.

Number of shortest communication paths as a function of the % of correlated nodes in each path.


2D representation of the interactions of this orthosteric/allosteric ligand.


Links and nodes colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
P:P:L123 P:P:V127 7.45 0 Yes Yes 7 8 2 2
P:P:L123 P:P:S159 3 0 Yes No 7 7 2 1
P:P:V127 P:P:W151 4.9 2 Yes Yes 8 5 2 1
P:P:D155 P:P:V127 13.15 2 Yes Yes 8 8 1 2
P:P:M128 P:P:W367 3.49 2 Yes Yes 8 6 2 2
P:P:M128 P:P:Y370 3.59 2 Yes Yes 8 7 2 1
P:P:V130 P:P:W141 3.68 2 No Yes 4 7 2 2
P:P:V130 P:P:W151 6.13 2 No Yes 4 5 2 1
P:P:S131 P:P:W151 3.71 2 No Yes 7 5 2 1
P:P:S131 P:P:W367 4.94 2 No Yes 7 6 2 2
P:P:S131 P:P:Y370 8.9 2 No Yes 7 7 2 1
P:P:W141 P:P:W151 12.18 2 Yes Yes 7 5 2 1
P:P:C227 P:P:W141 3.92 2 Yes Yes 9 7 2 2
P:P:I152 P:P:W151 2.35 2 Yes Yes 5 5 2 1
P:P:D155 P:P:W151 3.35 2 Yes Yes 8 5 1 1
P:P:C227 P:P:W151 5.22 2 Yes Yes 9 5 2 1
P:P:W151 U:U:?1 2.28 2 Yes Yes 5 0 1 0
P:P:I152 P:P:V156 1.54 2 Yes Yes 5 6 2 1
P:P:I152 P:P:I210 2.94 2 Yes Yes 5 6 2 2
P:P:C227 P:P:I152 3.27 2 Yes Yes 9 5 2 2
P:P:I152 P:P:L229 5.71 2 Yes No 5 4 2 1
P:P:D155 P:P:Y370 12.64 2 Yes Yes 8 7 1 1
P:P:D155 U:U:?1 12.69 2 Yes Yes 8 0 1 0
P:P:S207 P:P:V156 1.62 2 Yes Yes 7 6 2 1
P:P:I210 P:P:V156 4.61 2 Yes Yes 6 6 2 1
P:P:V156 U:U:?1 9.95 2 Yes Yes 6 0 1 0
P:P:S159 U:U:?1 12.03 0 No Yes 7 0 1 0
P:P:I163 P:P:T160 1.52 2 Yes Yes 8 7 2 2
P:P:I206 P:P:T160 1.52 2 Yes Yes 6 7 2 2
P:P:S242 P:P:T160 1.6 2 Yes Yes 6 7 1 2
P:P:F243 P:P:I163 2.51 2 Yes Yes 8 8 1 2
P:P:F332 P:P:I163 8.79 2 Yes Yes 9 8 1 2
P:P:F332 P:P:L166 6.09 2 Yes Yes 9 8 1 2
P:P:I206 P:P:V241 3.07 2 Yes No 6 4 2 2
P:P:I206 P:P:S242 1.55 2 Yes Yes 6 6 2 1
P:P:L229 P:P:V235 2.98 2 No No 4 6 1 1
P:P:L229 U:U:?1 4.62 2 No Yes 4 0 1 0
P:P:V235 P:P:V347 3.21 2 No No 6 5 1 2
P:P:V235 U:U:?1 3.98 2 No Yes 6 0 1 0
P:P:G238 P:P:S242 1.86 0 No Yes 6 6 2 1
P:P:F340 P:P:S239 5.28 2 Yes No 7 6 1 1
P:P:I344 P:P:S239 3.1 0 No No 5 6 2 1
P:P:S239 U:U:?1 3.01 2 No Yes 6 0 1 0
P:P:S242 P:P:V241 3.23 2 Yes No 6 4 1 2
P:P:S242 U:U:?1 4.01 2 Yes Yes 6 0 1 0
P:P:F243 P:P:F244 8.57 2 Yes Yes 8 5 1 2
P:P:F243 P:P:F332 3.22 2 Yes Yes 8 9 1 1
P:P:F243 P:P:W336 4.01 2 Yes Yes 8 8 1 1
P:P:C337 P:P:F243 2.79 0 No Yes 6 8 2 1
P:P:F243 P:P:F340 20.36 2 Yes Yes 8 7 1 1
P:P:F243 U:U:?1 1.63 2 Yes Yes 8 0 1 0
P:P:F244 P:P:F340 2.14 2 Yes Yes 5 7 2 1
P:P:F332 P:P:W336 9.02 2 Yes Yes 9 8 1 1
P:P:F332 U:U:?1 1.63 2 Yes Yes 9 0 1 0
P:P:F339 P:P:W336 8.02 2 Yes Yes 7 8 1 1
P:P:F340 P:P:W336 5.01 2 Yes Yes 7 8 1 1
P:P:G369 P:P:W336 12.67 0 No Yes 7 8 2 1
P:P:W336 P:P:Y370 3.86 2 Yes Yes 8 7 1 1
P:P:S372 P:P:W336 4.94 0 No Yes 9 8 2 1
P:P:W336 U:U:?1 15.21 2 Yes Yes 8 0 1 0
P:P:F339 P:P:F340 10.72 2 Yes Yes 7 7 1 1
P:P:F339 P:P:N343 9.67 2 Yes No 7 7 1 2
P:P:F339 P:P:V366 2.62 2 Yes Yes 7 6 1 2
P:P:F339 U:U:?1 6.51 2 Yes Yes 7 0 1 0
P:P:F340 U:U:?1 23.59 2 Yes Yes 7 0 1 0
P:P:V366 P:P:W367 2.45 2 Yes Yes 6 6 2 2
P:P:V366 P:P:Y370 11.36 2 Yes Yes 6 7 2 1
P:P:W367 P:P:Y370 11.58 2 Yes Yes 6 7 2 1
P:P:Y370 U:U:?1 3.91 2 Yes Yes 7 0 1 0

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Similarities between the interactions of this ligand and those of other networks

2D representation of the interactions of this orthosteric/allosteric ligand.


Links and nodes colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
M:M:?1 S:S:W151 3.8 1 Yes Yes 0 5 0 1
M:M:?1 S:S:D155 17.22 1 Yes Yes 0 8 0 1
M:M:?1 S:S:V156 9.95 1 Yes Yes 0 6 0 1
M:M:?1 S:S:S159 12.03 1 Yes No 0 7 0 1
M:M:?1 S:S:T160 2.95 1 Yes No 0 7 0 1
M:M:?1 S:S:L229 8.32 1 Yes Yes 0 4 0 1
M:M:?1 S:S:V235 3.98 1 Yes Yes 0 6 0 1
M:M:?1 S:S:G238 2.28 1 Yes No 0 6 0 1
M:M:?1 S:S:S239 3.01 1 Yes Yes 0 6 0 1
M:M:?1 S:S:S242 6.02 1 Yes No 0 6 0 1
M:M:?1 S:S:W336 13.69 1 Yes Yes 0 8 0 1
M:M:?1 S:S:F339 8.95 1 Yes Yes 0 7 0 1
M:M:?1 S:S:F340 17.08 1 Yes Yes 0 7 0 1
M:M:?1 S:S:N343 4.58 1 Yes Yes 0 7 0 1
M:M:?1 S:S:Y370 2.35 1 Yes Yes 0 7 0 1
S:S:L123 S:S:V127 2.98 0 Yes Yes 7 8 2 2
S:S:L123 S:S:S159 3 0 Yes No 7 7 2 1
S:S:V127 S:S:W151 2.45 1 Yes Yes 8 5 2 1
S:S:D155 S:S:V127 10.22 1 Yes Yes 8 8 1 2
S:S:V127 S:S:Y370 2.52 1 Yes Yes 8 7 2 1
S:S:M128 S:S:W367 3.49 1 Yes Yes 8 6 2 2
S:S:M128 S:S:Y370 9.58 1 Yes Yes 8 7 2 1
S:S:V130 S:S:W141 3.68 1 Yes Yes 4 7 2 2
S:S:V130 S:S:W151 12.26 1 Yes Yes 4 5 2 1
S:S:S131 S:S:W367 7.41 1 No Yes 7 6 2 2
S:S:S131 S:S:Y370 2.54 1 No Yes 7 7 2 1
S:S:C148 S:S:W141 16.98 1 Yes Yes 9 7 2 2
S:S:W141 S:S:W151 6.56 1 Yes Yes 7 5 2 1
S:S:C148 S:S:W151 2.61 1 Yes Yes 9 5 2 1
S:S:C148 S:S:I152 1.64 1 Yes Yes 9 5 2 2
S:S:I152 S:S:W151 3.52 1 Yes Yes 5 5 2 1
S:S:I152 S:S:V156 1.54 1 Yes Yes 5 6 2 1
S:S:I152 S:S:I210 5.89 1 Yes Yes 5 6 2 2
S:S:I152 S:S:L229 5.71 1 Yes Yes 5 4 2 1
S:S:D155 S:S:S159 2.94 1 Yes No 8 7 1 1
S:S:D155 S:S:Y370 9.2 1 Yes Yes 8 7 1 1
S:S:T160 S:S:V156 1.59 1 No Yes 7 6 1 1
S:S:L229 S:S:V156 1.49 1 Yes Yes 4 6 1 1
S:S:S242 S:S:T160 7.99 1 No No 6 7 1 1
S:S:I210 S:S:L229 2.85 1 Yes Yes 6 4 2 1
S:S:F234 S:S:L229 3.65 1 Yes Yes 7 4 2 1
S:S:L229 S:S:V235 1.49 1 Yes Yes 4 6 1 1
S:S:S239 S:S:V235 1.62 1 Yes Yes 6 6 1 1
S:S:V235 S:S:V347 3.21 1 Yes No 6 5 1 2
S:S:G238 S:S:I237 1.76 0 No No 6 4 1 2
S:S:F340 S:S:S239 5.28 1 Yes Yes 7 6 1 1
S:S:N343 S:S:S239 1.49 1 Yes Yes 7 6 1 1
S:S:I344 S:S:S239 4.64 0 No Yes 5 6 2 1
S:S:F243 S:S:F244 9.65 1 Yes No 8 5 2 2
S:S:F243 S:S:W336 2 1 Yes Yes 8 8 2 1
S:S:F243 S:S:F340 21.43 1 Yes Yes 8 7 2 1
S:S:F244 S:S:F340 3.22 1 No Yes 5 7 2 1
S:S:F332 S:S:W336 9.02 1 Yes Yes 9 8 2 1
S:S:F332 S:S:S372 5.28 1 Yes Yes 9 9 2 2
S:S:F339 S:S:W336 7.02 1 Yes Yes 7 8 1 1
S:S:F340 S:S:W336 3.01 1 Yes Yes 7 8 1 1
S:S:G369 S:S:W336 12.67 0 No Yes 7 8 2 1
S:S:S372 S:S:W336 3.71 1 Yes Yes 9 8 2 1
S:S:F339 S:S:F340 9.65 1 Yes Yes 7 7 1 1
S:S:F339 S:S:N343 7.25 1 Yes Yes 7 7 1 1
S:S:F339 S:S:L362 4.87 1 Yes No 7 3 1 2
S:S:F339 S:S:V366 6.55 1 Yes No 7 6 1 2
S:S:A346 S:S:N343 1.56 1 No Yes 4 7 2 1
S:S:L362 S:S:N343 5.49 1 No Yes 3 7 2 1
S:S:V366 S:S:W367 3.68 1 No Yes 6 6 2 2
S:S:V366 S:S:Y370 6.31 1 No Yes 6 7 2 1
S:S:W367 S:S:Y370 10.61 1 Yes Yes 6 7 2 1

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Similarities between the interactions of this ligand and those of other networks

2D representation of the interactions of this orthosteric/allosteric ligand.


Links and nodes colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
L:L:?1 R:R:W151 2.28 3 Yes Yes 0 5 0 1
L:L:?1 R:R:D155 19.03 3 Yes Yes 0 8 0 1
L:L:?1 R:R:V156 7.96 3 Yes Yes 0 6 0 1
L:L:?1 R:R:S159 14.04 3 Yes No 0 7 0 1
L:L:?1 R:R:I163 3.81 3 Yes No 0 8 0 1
L:L:?1 R:R:L229 4.62 3 Yes Yes 0 4 0 1
L:L:?1 R:R:V235 3.98 3 Yes Yes 0 6 0 1
L:L:?1 R:R:S242 2.01 3 Yes Yes 0 6 0 1
L:L:?1 R:R:W336 12.17 3 Yes Yes 0 8 0 1
L:L:?1 R:R:F339 6.51 3 Yes Yes 0 7 0 1
L:L:?1 R:R:F340 17.08 3 Yes Yes 0 7 0 1
L:L:?1 R:R:N343 1.83 3 Yes Yes 0 7 0 1
L:L:?1 R:R:Y370 3.13 3 Yes Yes 0 7 0 1
R:R:L123 R:R:V127 4.47 3 Yes Yes 7 8 2 2
R:R:L123 R:R:M128 2.83 3 Yes Yes 7 8 2 2
R:R:L123 R:R:S159 3 3 Yes No 7 7 2 1
R:R:L123 R:R:Y370 3.52 3 Yes Yes 7 7 2 1
R:R:V127 R:R:W151 4.9 3 Yes Yes 8 5 2 1
R:R:D155 R:R:V127 5.84 3 Yes Yes 8 8 1 2
R:R:M128 R:R:W367 2.33 3 Yes Yes 8 6 2 2
R:R:M128 R:R:Y370 7.18 3 Yes Yes 8 7 2 1
R:R:V130 R:R:W141 2.45 3 No Yes 4 7 2 2
R:R:V130 R:R:W151 9.81 3 No Yes 4 5 2 1
R:R:S131 R:R:W151 2.47 3 No Yes 7 5 2 1
R:R:S131 R:R:W367 6.18 3 No Yes 7 6 2 2
R:R:S131 R:R:Y370 3.82 3 No Yes 7 7 2 1
R:R:W141 R:R:W151 10.31 3 Yes Yes 7 5 2 1
R:R:C227 R:R:W141 5.22 3 Yes Yes 9 7 2 2
R:R:I152 R:R:W151 2.35 3 Yes Yes 5 5 2 1
R:R:C227 R:R:W151 2.61 3 Yes Yes 9 5 2 1
R:R:I152 R:R:V156 1.54 3 Yes Yes 5 6 2 1
R:R:I152 R:R:I210 4.42 3 Yes Yes 5 6 2 2
R:R:I152 R:R:V221 3.07 3 Yes Yes 5 3 2 2
R:R:C227 R:R:I152 1.64 3 Yes Yes 9 5 2 2
R:R:I152 R:R:L229 8.56 3 Yes Yes 5 4 2 1
R:R:D155 R:R:S159 4.42 3 Yes No 8 7 1 1
R:R:D155 R:R:Y370 12.64 3 Yes Yes 8 7 1 1
R:R:S207 R:R:V156 3.23 0 Yes Yes 7 6 2 1
R:R:I210 R:R:V156 4.61 3 Yes Yes 6 6 2 1
R:R:I206 R:R:T160 1.52 3 No Yes 6 7 2 2
R:R:S207 R:R:T160 1.6 0 Yes Yes 7 7 2 2
R:R:S242 R:R:T160 4.8 3 Yes Yes 6 7 1 2
R:R:I163 R:R:P246 5.08 0 No No 8 9 1 2
R:R:F332 R:R:I163 6.28 3 Yes No 9 8 2 1
R:R:I206 R:R:V241 4.61 3 No No 6 4 2 2
R:R:I206 R:R:S242 3.1 3 No Yes 6 6 2 1
R:R:C227 R:R:V221 1.71 3 Yes Yes 9 3 2 2
R:R:L229 R:R:V221 1.49 3 Yes Yes 4 3 1 2
R:R:F234 R:R:L229 4.87 0 No Yes 7 4 2 1
R:R:L229 R:R:V235 2.98 3 Yes Yes 4 6 1 1
R:R:N343 R:R:V235 2.96 3 Yes Yes 7 6 1 1
R:R:V235 R:R:V347 1.6 3 Yes Yes 6 5 1 2
R:R:F244 R:R:S239 3.96 3 Yes No 5 6 2 2
R:R:F340 R:R:S239 3.96 3 Yes No 7 6 1 2
R:R:S242 R:R:V241 1.62 3 Yes No 6 4 1 2
R:R:F243 R:R:F244 7.5 3 Yes Yes 8 5 2 2
R:R:F243 R:R:W336 4.01 3 Yes Yes 8 8 2 1
R:R:F243 R:R:F340 22.51 3 Yes Yes 8 7 2 1
R:R:F244 R:R:F340 2.14 3 Yes Yes 5 7 2 1
R:R:F332 R:R:W336 7.02 3 Yes Yes 9 8 2 1
R:R:F332 R:R:S372 3.96 3 Yes Yes 9 9 2 2
R:R:F339 R:R:W336 8.02 3 Yes Yes 7 8 1 1
R:R:F340 R:R:W336 6.01 3 Yes Yes 7 8 1 1
R:R:V366 R:R:W336 2.45 3 Yes Yes 6 8 2 1
R:R:G369 R:R:W336 12.67 3 No Yes 7 8 2 1
R:R:W336 R:R:Y370 3.86 3 Yes Yes 8 7 1 1
R:R:S372 R:R:W336 2.47 3 Yes Yes 9 8 2 1
R:R:F339 R:R:F340 6.43 3 Yes Yes 7 7 1 1
R:R:F339 R:R:N343 4.83 3 Yes Yes 7 7 1 1
R:R:F339 R:R:L362 2.44 3 Yes Yes 7 3 1 2
R:R:F339 R:R:V366 3.93 3 Yes Yes 7 6 1 2
R:R:L362 R:R:N343 4.12 3 Yes Yes 3 7 2 1
R:R:V366 R:R:W367 2.45 3 Yes Yes 6 6 2 2
R:R:V366 R:R:Y370 5.05 3 Yes Yes 6 7 2 1
R:R:W367 R:R:Y370 5.79 3 Yes Yes 6 7 2 1
R:R:G369 R:R:S372 1.86 3 No Yes 7 9 2 2

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Similarities between the interactions of this ligand and those of other networks

PDB Summary
PDB 6WH4_poly
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 1.49
Number of Linked Nodes 774
Number of Links 1096
Number of Hubs 222
Number of Links mediated by Hubs 765
Number of Communities 20
Number of Nodes involved in Communities 312
Number of Links involved in Communities 534
Path Summary
Number Of Nodes in MetaPath 53
Number Of Links MetaPath 52
Number of Shortest Paths 1533733
Length Of Smallest Path 3
Average Path Length 26.6542
Length of Longest Path 50
Minimum Path Strength 1.265
Average Path Strength 4.50904
Maximum Path Strength 20.47
Minimum Path Correlation 0.7
Average Path Correlation 0.989247
Maximum Path Correlation 1
Minimum % Of Corr. Nodes 3.22581
Average % Of Corr. Nodes 48.6994
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 61.3054
Maximum Path Hubs % 100

Details about the values in these tables can be found in the corresponding documentation page .
Code89F
PDB ResiduesL:L:?1 M:M:?1 U:U:?1
Environment DetailsOpen EMBL-EBI Page
Code89F
Name1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
SynonymsMethiothepin; Metitepine
Identifier
FormulaC20 H24 N2 S2
Molecular Weight356.548
SMILES
PubChem7059581
Formal Charge0
Total Atoms48
Total Chiral Atoms1
Total Bonds51
Total Aromatic Bonds12

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP28223
Sequence
>6WH4_poly_Chain_R
LQEKNWSAL LTAVVIILT IAGNILVIM AVSLEKKLQ NATNYFLMS 
LAIADMLLG FLVMPVSML TILYGYRWP LPSKLCAVW IYLDVLFST 
ASIMHLCAI SLDRYVAIQ NPIHHSRFN SRTKAFLKI IAVWTISVG 
ISMPIPVFG LSKVFKEGS CLLADDNFV LIGSFVSFF IPATIMVIT 
YFLTIKSLQ KEATMQSIS NEQKACKVL GIVFFLFVV MWCPFFITN 
IMAVICKES CNEDVIGAL LNVFVWIGY ASSAVNPLV YTLFNKTYR 
SAFSRYIQC QY


Click on each residue to open a popup with some information about it.

ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  




This receptor, from the same or other species and bound to the same or other ligands, is also present in the following networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6WGTAAmine5-Hydroxytryptamine5-HT2AHomo sapiensLSD--3.42020-09-23doi.org/10.1016/j.cell.2020.08.024
6WH4AAmine5-Hydroxytryptamine5-HT2AHomo sapiensMethiothepin--3.42020-09-23doi.org/10.1016/j.cell.2020.08.024
6WHAAAmine5-Hydroxytryptamine5-HT2AHomo sapiensDB13948-chim(NtGi2L-Gs-CtGq)/β1/γ23.362020-09-23doi.org/10.1016/j.cell.2020.08.024
6WHA (No Gprot) AAmine5-Hydroxytryptamine5-HT2AHomo sapiensDB13948-3.362020-09-23doi.org/10.1016/j.cell.2020.08.024
8ZMGAAmine5-Hydroxytryptamine5-HT2AHomo sapiensPimavanserin--3.42024-08-28doi.org/10.1021/acs.jmedchem.4c01244
7RANAAmine5-Hydroxytryptamine5-HT2AHomo sapiensPubChem 164575847-chim(NtGi2L-Gs-CtGq)/β1/γ23.452022-07-06doi.org/10.1038/s41586-022-05258-z
7RAN (No Gprot) AAmine5-Hydroxytryptamine5-HT2AHomo sapiensPubChem 164575847-3.452022-07-06doi.org/10.1038/s41586-022-05258-z
7VODAAmine5-Hydroxytryptamine5-HT2AHomo sapiensCariprazine--3.32021-12-22doi.org/10.1038/s41593-021-00971-w
7VOEAAmine5-Hydroxytryptamine5-HT2AHomo sapiensAripiprazole--2.92021-12-22doi.org/10.1038/s41593-021-00971-w
6A93AAmine5-Hydroxytryptamine5-HT2AHomo sapiensRisperidone--32019-02-13doi.org/10.1038/s41594-018-0180-z
6A94AAmine5-Hydroxytryptamine5-HT2AHomo sapiensZotepine--2.92019-02-13doi.org/10.1038/s41594-018-0180-z
7WC4AAmine5-Hydroxytryptamine5-HT2AHomo sapiensSerotonin--3.22022-01-26doi.org/10.1126/science.abl8615
7WC5AAmine5-Hydroxytryptamine5-HT2AHomo sapiensPsilocin--3.22022-01-26doi.org/10.1126/science.abl8615
7WC6AAmine5-Hydroxytryptamine5-HT2AHomo sapiensLSD--2.62022-01-26doi.org/10.1126/science.abl8615
7WC7AAmine5-Hydroxytryptamine5-HT2AHomo sapiensLisuride--2.62022-01-26doi.org/10.1126/science.abl8615
7WC8AAmine5-Hydroxytryptamine5-HT2AHomo sapiensLumateperone--2.452022-01-26doi.org/10.1126/science.abl8615
7WC9AAmine5-Hydroxytryptamine5-HT2AHomo sapiensPubChem 162421364--2.52022-01-26doi.org/10.1126/science.abl8615
8UWLAAmine5-Hydroxytryptamine5-HT2AHomo sapiensLisuride-chim(NtGi2-Gs-CtGq)/β1/γ22.82024-05-29doi.org/10.1126/science.adn6354
8UWL (No Gprot) AAmine5-Hydroxytryptamine5-HT2AHomo sapiensLisuride-2.82024-05-29doi.org/10.1126/science.adn6354
8V6UAAmine5-Hydroxytryptamine5-HT2AHomo sapiensPubChem 171392456-chim(NtGi2-Gs-CtGq)/β1/γ232024-05-29doi.org/10.1126/science.adn6354
8V6U (No Gprot) AAmine5-Hydroxytryptamine5-HT2AHomo sapiensPubChem 171392456-32024-05-29doi.org/10.1126/science.adn6354
8JT8AAmine5-Hydroxytryptamine5-HT2AHomo sapiens(R)-IHCH-7179--2.72024-02-28doi.org/10.1016/j.cell.2024.02.034
9ARXAAmine5-Hydroxytryptamine5-HT2AHomo sapiensSerotonin--3.242025-04-02doi.org/10.1038/s41467-025-57956-7
9ARYAAmine5-Hydroxytryptamine5-HT2AHomo sapiensSerotonin-chim(NtGi1-Gs-CtGq)/β1/γ23.272025-04-02doi.org/10.1038/s41467-025-57956-7
9ARY (No Gprot) AAmine5-Hydroxytryptamine5-HT2AHomo sapiensSerotonin-3.272025-04-02doi.org/10.1038/s41467-025-57956-7
9ARZAAmine5-Hydroxytryptamine5-HT2AHomo sapiens2-bromo-LSD--3.372025-04-02doi.org/10.1038/s41467-025-57956-7
9AS0AAmine5-Hydroxytryptamine5-HT2AHomo sapiens2-bromo-LSD-chim(NtGi1-Gs-CtGq)/β1/γ23.382025-04-02doi.org/10.1038/s41467-025-57956-7
9AS0 (No Gprot) AAmine5-Hydroxytryptamine5-HT2AHomo sapiens2-bromo-LSD-3.382025-04-02doi.org/10.1038/s41467-025-57956-7
9AS1AAmine5-Hydroxytryptamine5-HT2AHomo sapiensDMT--3.382025-04-02doi.org/10.1038/s41467-025-57956-7
9AS2AAmine5-Hydroxytryptamine5-HT2AHomo sapiensDMT-chim(NtGi1-Gs-CtGq)/β1/γ23.212025-04-02doi.org/10.1038/s41467-025-57956-7
9AS2 (No Gprot) AAmine5-Hydroxytryptamine5-HT2AHomo sapiensDMT-3.212025-04-02doi.org/10.1038/s41467-025-57956-7
9AS3AAmine5-Hydroxytryptamine5-HT2AHomo sapiensLSD--3.182025-04-02doi.org/10.1038/s41467-025-57956-7
9AS4AAmine5-Hydroxytryptamine5-HT2AHomo sapiensLSD-chim(NtGi1-Gs-CtGq)/β1/γ23.062025-04-02doi.org/10.1038/s41467-025-57956-7
9AS4 (No Gprot) AAmine5-Hydroxytryptamine5-HT2AHomo sapiensLSD-3.062025-04-02doi.org/10.1038/s41467-025-57956-7
9AS5AAmine5-Hydroxytryptamine5-HT2AHomo sapiensMescaline--3.342025-04-02doi.org/10.1038/s41467-025-57956-7
9AS6AAmine5-Hydroxytryptamine5-HT2AHomo sapiensMescaline-chim(NtGi1-Gs-CtGq)/β1/γ23.072025-04-02doi.org/10.1038/s41467-025-57956-7
9AS6 (No Gprot) AAmine5-Hydroxytryptamine5-HT2AHomo sapiensMescaline-3.072025-04-02doi.org/10.1038/s41467-025-57956-7
9AS7AAmine5-Hydroxytryptamine5-HT2AHomo sapiensPsilocin--2.722025-04-02doi.org/10.1038/s41467-025-57956-7
9AS9AAmine5-Hydroxytryptamine5-HT2AHomo sapiensRS130-180--3.472025-04-02doi.org/10.1038/s41467-025-57956-7
9ASAAAmine5-Hydroxytryptamine5-HT2AHomo sapiensRS130-180-chim(NtGi1-Gs-CtGq)/β1/γ23.122025-04-02doi.org/10.1038/s41467-025-57956-7
9ASA (No Gprot) AAmine5-Hydroxytryptamine5-HT2AHomo sapiensRS130-180-3.122025-04-02doi.org/10.1038/s41467-025-57956-7




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