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
1A:A:Q19 6.6375454
2A:A:H41 44116
3A:A:I207 3.922519
4A:A:F219 6.3245118
5A:A:F222 10.922517
6A:A:V224 3.405419
7A:A:Q227 4.154519
8A:A:K233 3.69519
9A:A:W234 5.106519
10A:A:F238 4.72143719
11A:A:F246 3.4775409
12A:A:F273 6.824599
13A:A:W277 8.294596
14A:A:W281 6.28833635
15A:A:L289 5.57409
16A:A:F290 4.556676209
17A:A:R342 4.872594
18A:A:F345 8.1225408
19A:A:L346 3.2725494
20A:A:Y360 6.5125408
21A:A:F376 3.756676118
22A:A:R385 6.24405
23A:A:H387 4.374138
24A:A:Y391 5.294504
25B:B:E10 3.68254228
26B:B:T34 4.5125485
27B:B:I37 5.5675482
28B:B:V40 4.64833683
29B:B:I43 2.9725483
30B:B:H54 7.336559
31B:B:K57 10.6125439
32B:B:W63 5.055607
33B:B:S72 5.0225459
34B:B:I81 4.624247
35B:B:W82 9.05659
36B:B:T86 6.1225456
37B:B:K89 6.146559
38B:B:I93 3.675407
39B:B:L95 3.21754258
40B:B:W99 7.30429719
41B:B:N110 5.9454154
42B:B:Y111 6.355154
43B:B:L117 3.698519
44B:B:I123 3.05406
45B:B:Y124 4.388336256
46B:B:L139 5.2625409
47B:B:H142 6.32167619
48B:B:Y145 4.43111918
49B:B:R150 5.86254236
50B:B:F151 4.5925409
51B:B:D163 8.1125419
52B:B:L168 3.154566
53B:B:W169 6.75518
54B:B:F180 6.15833667
55B:B:H183 6.97669
56B:B:D186 4.9625419
57B:B:V187 4.315469
58B:B:L190 3.29254235
59B:B:F199 5.588569
60B:B:S201 3.7075469
61B:B:C204 4.47333617
62B:B:D205 6.9925469
63B:B:K209 10.215466
64B:B:L210 3.3225425
65B:B:W211 7.592568
66B:B:Q220 6.655427
67B:B:F222 5.658528
68B:B:H225 8.91333629
69B:B:D228 6.844519
70B:B:I232 4.754528
71B:B:F234 5.115405
72B:B:F235 8.4845166
73B:B:N237 7.3765165
74B:B:F241 6.46526
75B:B:T243 5.4375428
76B:B:D247 6.8825429
77B:B:T249 5.67426
78B:B:R251 10.64428
79B:B:F253 5.8325426
80B:B:L255 2.88426
81B:B:D258 6.068527
82B:B:Q259 4.8525406
83B:B:Y264 6.076125
84B:B:C271 3.83405
85B:B:F278 4.42167607
86B:B:R283 8.60667689
87B:B:L284 4.3425485
88B:B:Y289 6.3556127
89B:B:D290 6.335436
90B:B:W297 5.35254128
91B:B:L300 5.6725486
92B:B:K301 5.8425485
93B:B:H311 9.0575439
94B:B:N313 3.4725437
95B:B:R314 14.065438
96B:B:W332 10.81639
97B:B:D333 7.128539
98B:B:L336 4.8125457
99B:B:W339 6.94167639
100G:G:L19 2.13409
101G:G:A23 2.37408
102G:G:R27 6.4075428
103G:G:L37 4.91754167
104G:G:M38 3.62484
105G:G:D48 7.47509
106G:G:L51 5.44486
107G:G:V54 3.955406
108G:G:N59 6.8154149
109G:G:P60 6.84149
110G:G:F61 4.712867148
111L:L:?1 6.3721070
112R:R:I19 3.78333640
113R:R:P20 3.515440
114R:R:V25 3.6125400
115R:R:Y37 6.39400
116R:R:N44 3.62400
117R:R:E54 3.735400
118R:R:L57 5.6454170
119R:R:Y62 5.875170
120R:R:F64 3.734500
121R:R:L68 3.655180
122R:R:D72 5.64254180
123R:R:T79 4.2425440
124R:R:I80 4.646500
125R:R:M83 5.0025440
126R:R:F87 6.822540
127R:R:F96 5.416100
128R:R:M103 4.285470
129R:R:I106 3.1275440
130R:R:F109 6.23400
131R:R:M112 5.3325400
132R:R:E113 5.6385180
133R:R:M120 2.99754180
134R:R:D123 6.88754130
135R:R:Y125 5.065400
136R:R:P131 4.56254130
137R:R:L132 3.7875400
138R:R:Y134 5.7525130
139R:R:F161 8.17570
140R:R:L168 2.6365260
141R:R:F170 4.244100
142R:R:H178 6.342540
143R:R:T179 4.0475440
144R:R:Y180 4.91429740
145R:R:H183 11.65470
146R:R:M184 3.175400
147R:R:Y200 6.9625470
148R:R:I208 3.795470
149R:R:V209 4.132570
150R:R:D212 5.35400
151R:R:Y220 5.4125400
152R:R:F253 6.5475400
153R:R:Y254 5.68833600
154R:R:H264 7.486540
155R:R:R265 6.7275470
156R:R:I270 3.62754190
157R:R:P271 4.49254190
158R:R:H275 7.7025400
159R:R:I276 6.0725440
160R:R:Y282 4.844540
161R:R:N290 4.2825400
162R:R:Y294 5.754500
163R:R:I301 3.222500
164R:R:R304 8.234170
   

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
1B:B:D76 B:B:S74 23.42187.36NoNo099
2B:B:H54 B:B:S74 25.5499.76YesNo099
3B:B:H54 B:B:S72 14.90026.97YesYes599
4B:B:S72 B:B:W82 10.67062.47YesYes599
5B:B:I80 B:B:W82 10.665812.92NoYes089
6B:B:D76 B:B:L55 12.78055.43NoNo096
7A:A:K34 B:B:L55 10.65122.82NoNo046
8B:B:N340 G:G:N59 56.165312.26NoYes099
9B:B:M45 B:B:N340 56.79952.8NoNo049
10B:B:L308 B:B:M45 52.59084.24NoNo074
11B:B:L308 B:B:W339 53.370910.25NoYes079
12B:B:T329 B:B:W339 27.28488.49NoYes089
13B:B:H311 B:B:T329 27.61764.11YesNo098
14B:B:D333 B:B:H311 55.28836.3YesYes399
15B:B:D333 B:B:N313 56.32452.69YesYes397
16B:B:N313 B:B:W332 56.79213.39YesYes379
17A:A:W281 B:B:W332 40.43922.81YesYes359
18A:A:N279 A:A:W281 73.30343.39NoYes085
19A:A:L282 A:A:N279 73.31968.24NoNo098
20A:A:I235 A:A:L282 73.36284.28NoNo099
21A:A:I235 A:A:W234 73.40673.52NoYes099
22A:A:R231 A:A:W234 1009NoYes099
23A:A:L272 A:A:R231 99.8773.64NoNo089
24A:A:F246 A:A:L272 99.75373.65YesNo098
25A:A:F246 A:A:L289 98.90564.87YesYes099
26A:A:F345 A:A:L289 97.463810.96YesYes089
27A:A:F273 A:A:F345 97.38114.29YesYes098
28A:A:F273 A:A:W277 98.048213.03YesYes996
29A:A:H357 A:A:W277 97.516321.16NoYes076
30A:A:H357 A:A:R356 97.39123.39NoNo072
31A:A:R356 A:A:R389 97.165711.73NoNo024
32A:A:L394 A:A:R389 97.09212.43NoNo084
33A:A:L388 A:A:L394 96.78592.77NoNo088
34A:A:L388 A:A:L393 95.15982.77NoNo2188
35A:A:L393 A:A:Y391 95.91622.34NoYes084
36A:A:Y391 R:R:D123 30.21485.75YesYes040
37R:R:D123 R:R:F64 12.50367.17YesYes000
38G:G:F61 G:G:N59 49.1232.42YesYes1489
39B:B:K337 B:B:W339 27.24688.12NoYes369
40B:B:H311 B:B:K337 27.617610.48YesNo396
41B:B:K57 B:B:W332 24.64323.21YesYes399
42B:B:K57 B:B:Q75 26.0869.49YesNo099
43B:B:Q75 B:B:W99 15.42416.57NoYes099
44R:R:D123 R:R:Y134 25.04279.2YesYes1300
45A:A:H387 R:R:Y134 45.79646.53YesYes1380
46A:A:H387 A:A:I383 43.75012.65YesNo1388
47A:A:I383 R:R:L132 43.3862.85NoYes080
48A:A:H41 R:R:L132 20.89422.57YesYes060
49A:A:Y391 R:R:A127 21.06094YesNo040
50R:R:A127 R:R:Y134 20.86155.34NoYes000
51A:A:F219 A:A:H41 19.65647.92YesYes1186
52A:A:F376 R:R:L132 22.14774.87YesYes080
53A:A:F219 A:A:F376 19.68913.22YesYes1188
54A:A:C379 A:A:F219 37.68935.59NoYes088
55B:B:L117 B:B:W99 15.83615.69YesYes199
56B:B:Q75 B:B:Y59 11.19677.89NoNo098
57B:B:M101 B:B:Y59 11.09518.38NoNo098
58B:B:L117 B:B:Y145 12.35343.52YesYes198
59A:A:F290 A:A:I288 13.43383.77YesNo099
60A:A:F290 A:A:V375 32.70342.62YesNo099
61A:A:C379 A:A:V375 33.53521.71NoNo089
62B:B:L284 B:B:V296 16.56035.96YesNo055
63B:B:L286 B:B:V296 17.07532.98NoNo075
64B:B:L286 B:B:L318 17.35984.15NoNo076
65B:B:L318 B:B:S275 18.77624.5NoNo068
66B:B:S275 B:B:T274 19.05683.2NoNo088
67B:B:R314 B:B:T274 10.90675.17YesNo388
68A:A:D378 A:A:I288 11.75947NoNo079
69A:A:D378 A:A:Y360 21.841610.34NoYes078
70A:A:F290 A:A:H362 14.27344.53YesNo099
71A:A:D378 A:A:H362 11.76187.56NoNo079
72A:A:Y391 R:R:R124 46.56267.2YesNo040
73B:B:W297 B:B:Y264 25.393410.61YesYes1285
74B:B:M262 B:B:Y264 14.26828.38NoYes1245
75B:B:L30 B:B:M262 14.07745.65NoNo054
76B:B:L261 B:B:L30 13.87514.15NoNo055
77B:B:L261 G:G:V30 13.03184.47NoNo058
78B:B:Q259 G:G:V30 12.82815.73YesNo068
79B:B:C25 B:B:Q259 12.44916.1NoYes036
80B:B:C25 G:G:R27 12.2445.57NoYes038
81B:B:D258 G:G:R27 11.61784.76YesYes278
82B:B:R49 G:G:F61 25.3647.48NoYes1478
83B:B:R49 B:B:T87 25.03245.17NoNo075
84B:B:L51 B:B:W82 13.413318.22NoYes599
85B:B:L51 B:B:T87 24.69164.42NoNo095
86B:B:S84 G:G:F61 17.62735.28NoYes058
87B:B:S84 B:B:W63 17.28192.47NoYes057
88B:B:L70 B:B:W82 13.48116.83NoYes059
89B:B:L70 B:B:W63 13.82687.97NoYes057
90B:B:S147 B:B:Y145 15.34712.54NoYes098
91B:B:S147 B:B:S160 15.03293.26NoNo096
92B:B:S97 B:B:W99 15.9152.47NoYes089
93B:B:D118 B:B:S97 15.351111.78NoNo098
94B:B:D118 B:B:I120 14.78692.8NoNo096
95B:B:E138 B:B:I120 13.09234.1NoNo066
96B:B:E138 B:B:S122 11.96094.31NoNo068
97B:B:S122 B:B:Y124 11.39473.82NoYes086
98B:B:G162 B:B:Y145 15.85365.79NoYes198
99B:B:G162 B:B:S161 15.68773.71NoNo199
100B:B:H142 B:B:S161 13.803915.34YesNo199
101B:B:C271 B:B:Y289 23.74024.03YesYes057
102B:B:C271 B:B:D290 24.58093.11YesYes056
103R:R:R124 R:R:Y220 46.38825.14NoYes000
104R:R:I216 R:R:Y220 42.65182.42NoYes000
105R:R:I216 R:R:Y254 42.46762.42NoYes000
106R:R:V209 R:R:Y254 11.15945.05YesYes000
107R:R:F253 R:R:Y254 30.078510.32YesYes000
108R:R:F253 R:R:Y282 32.81293.09YesYes000
109R:R:Y180 R:R:Y282 28.71752.98YesYes400
110R:R:H178 R:R:Y180 13.96159.8YesYes400
111R:R:H178 R:R:I276 10.04939.28YesYes400
112R:R:F64 R:R:M120 10.82553.73YesYes000
113B:B:L336 B:B:L51 10.94025.54YesNo579
114A:A:W234 B:B:Y145 25.63674.82YesYes198
115A:A:W281 B:B:D290 29.6973.35YesYes356
116B:B:W297 B:B:Y289 21.04694.82YesYes1287
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
L:L:?1 R:R:H107 12.23 7 Yes No 0 0 0 1
L:L:?1 R:R:T110 2.8 7 Yes No 0 0 0 1
L:L:?1 R:R:F161 5.79 7 Yes Yes 0 0 0 1
L:L:?1 R:R:H183 8.56 7 Yes Yes 0 0 0 1
L:L:?1 R:R:I208 4.07 7 Yes Yes 0 0 0 1
L:L:?1 R:R:V209 2.83 7 Yes Yes 0 0 0 1
L:L:?1 R:R:F261 16.22 7 Yes No 0 0 0 1
L:L:?1 R:R:R265 8.09 7 Yes Yes 0 0 0 1
R:R:H107 R:R:M103 5.25 0 No Yes 0 0 1 2
R:R:F161 R:R:M103 2.49 7 Yes Yes 0 0 1 2
R:R:L165 R:R:M103 2.83 7 No Yes 0 0 2 2
R:R:H183 R:R:M103 6.57 7 Yes Yes 0 0 1 2
R:R:H107 R:R:V158 2.77 0 No No 0 0 1 2
R:R:I208 R:R:R153 3.76 7 Yes No 0 0 1 2
R:R:I208 R:R:L157 4.28 7 Yes No 0 0 1 2
R:R:F161 R:R:V158 2.62 7 Yes No 0 0 1 2
R:R:F161 R:R:H183 23.76 7 Yes Yes 0 0 1 1
R:R:F161 R:R:Y200 6.19 7 Yes Yes 0 0 1 2
R:R:H183 R:R:L165 7.71 7 Yes No 0 0 1 2
R:R:I198 R:R:R265 8.77 0 No Yes 0 0 2 1
R:R:L202 R:R:R265 3.64 7 No Yes 0 0 2 1
R:R:F266 R:R:L202 2.44 7 No No 0 0 2 2
R:R:I208 R:R:V209 3.07 7 Yes Yes 0 0 1 1
R:R:V209 R:R:Y254 5.05 7 Yes Yes 0 0 1 2
R:R:F258 R:R:V209 7.87 0 No Yes 0 0 2 1
R:R:A257 R:R:F261 2.77 0 No No 0 0 2 1
R:R:F266 R:R:R265 6.41 7 No Yes 0 0 2 1
R:R:G210 R:R:V209 1.84 0 No Yes 0 0 2 1
L:L:?1 R:R:G201 1.63 7 Yes No 0 0 0 1
L:L:?1 R:R:A205 1.5 7 Yes No 0 0 0 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

ShowSimilarityNetwork TypeNameLigandDescription

PDB Summary
PDB 8HTI
Class O1
SubFamily Odorant receptors
Type Odorant family 52
SubType OR52C
Species Homo Sapiens
Ligand Ocatnoic acid
Other Ligand(s) -
Protein Partners Gs/Beta1/Gamma2
PDB Resolution 2.97
Date 2023-12-20
D.O.I. 10.1038/s41467-023-43983-9
Net Summary
Imin 2.38
Number of Linked Nodes 779
Number of Links 956
Number of Hubs 164
Number of Links mediated by Hubs 593
Number of Communities 26
Number of Nodes involved in Communities 228
Number of Links involved in Communities 325
Path Summary
Number Of Nodes in MetaPath 117
Number Of Links MetaPath 116
Number of Shortest Paths 1014500
Length Of Smallest Path 3
Average Path Length 30.7424
Length of Longest Path 62
Minimum Path Strength 1.19
Average Path Strength 5.90367
Maximum Path Strength 24.6
Minimum Path Correlation 0.7
Average Path Correlation 0.979265
Maximum Path Correlation 1
Minimum % Of Corr. Nodes 2.38095
Average % Of Corr. Nodes 49.0976
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 49.8213
Maximum Path Hubs % 100

Details about the values in these tables can be found in the corresponding documentation page .
CodeOCA
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeOCA
NameCaprylic acid
Synonymsn-octylic acid
Identifier
FormulaC8 H16 O2
Molecular Weight144.211
SMILES
PubChem379
Formal Charge0
Total Atoms26
Total Chiral Atoms0
Total Bonds25
Total Aromatic Bonds0

PDBsumOpen PDBsum Page
ChainA
ProteinG Protein α Sub unit
UniProtP63092
Sequence
>8HTI_Chain_A
RNEEKAQRE ANKKIEKQL QKDKQVYRA THRLLLLGI FETKFQVDK 
VNFHMFDVG GQRDERRKW IQCFNDVTA IIFVVRLQE ALNLFKSIW 
NNRWLRTIS VILFLKYFI RDEFLRIST ASGDGRHYC YPHFTTENI 
RRVFNDCRD IIQRMHLRQ YELL


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  

ChainB
ProteinG Protein β Sub unit
UniProtP62873
Sequence
>8HTI_Chain_B
QEAEQLKNQ IRDARKACA DATLSQITN NIDPVGRIQ MRTRRTLRG 
HLAKIYAMH WGTDSRLLV SASQDGKLI IWDSYTTNK VHAIPLRSS 
WVMTCAYAP SGNYVACGG LDNICSIYN LKTVRVSRE LAGHTGYLS 
CCRFLDDNQ IVTSSGDTT CALWDIETG QQTTTFTGH TGDVMSLSL 
APDTRLFVS GACDASAKL WDVREGMCR QTFTGHESD INAICFFPN 
GNAFATGSD DATCRLFDL RADQELMTY SHDNIICGI TSVSFSKSG 
RLLLAGYDD FNCNVWDAL KADRAGVLA GHDNRVSCL GVTDDGMAV 
ATGSWDSFL KIWN


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  

ChainG
ProteinG Protein γ Sub unit
UniProtP59768
Sequence
>8HTI_Chain_G
AQARKLVEQ LKMEANIDR IKVSKAAAD LMAYCEAHA KEDPLLTPV 
PASENPF


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  

ChainR
ProteinReceptor
UniProt-
Sequence
>8HTI_Chain_R
SFHPSSFLL VGIPGLESV HIWISIPFC AMYLIALLG NSTLLFVIK 
TERSLHEPM YYFLAMLAA TDLVLSTST IPKMLAIFW FNLKEISFD 
ACLTQMFFI HSFTGMESG VLLAMAFDR YVAICYPLR YTTILTNKV 
IGKIGMAVV LRAVLLVIP FPFLLKRLP FCGTNIIPH TYCEHMGVA 
KLACADIKV NIIYGLFVA LLIVGLDVI LIALSYVLI LRAVFRLPS 
QDARLKALS TCGSHICVI LAFYTPAFF SFLTHRFGH HIPPYIHIL 
LANLYLLVP PMLNPIIYG VKTKQIRER VLKIFF


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
8W77O1Odorant receptorsOdorant family 52OR52CHomo sapiens---3.612023-12-2010.1038/s41467-023-43983-9
8J46O1Odorant receptorsOdorant family 52OR52CHomo sapiens---3.662023-12-2010.1038/s41467-023-43983-9
8HTIO1Odorant receptorsOdorant family 52OR52CHomo sapiensOcatnoic acid-Gs/β1/γ22.972023-12-2010.1038/s41467-023-43983-9
8HTI (No Gprot) O1Odorant receptorsOdorant family 52OR52CHomo sapiensOcatnoic acid-2.972023-12-2010.1038/s41467-023-43983-9




You can download a compressed (zip) file with structure(s), 3D outputs (as PyMol and VMD scripts) and numerical data files (as csv and plain text files).

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