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
1R:R:C78 4.955449
2R:R:Y85 7.25409
3R:R:D95 3.436525
4R:R:K105 7.582524
5R:R:W109 6.934527
6R:R:W119 10.375409
7R:R:L125 5.7975407
8R:R:Y130 7.788527
9R:R:M131 3.73405
10R:R:K133 4.506566
11R:R:T150 6.6225407
12R:R:R151 7.464575
13R:R:W163 12.05578
14R:R:F166 7.968526
15R:R:I185 5.308544
16R:R:F187 10.182546
17R:R:N202 4.645415
18R:R:W206 8.43404
19R:R:Y207 10.45417
20R:R:E211 7.082505
21R:R:N219 7.568507
22R:R:F222 7.02606
23R:R:Y262 7.13439
24R:R:I266 5.1538
25R:R:Y269 7.53438
26R:R:W281 6.03833617
27R:R:F285 6.0125498
28R:R:I293 2.3325408
29R:R:R296 6.824516
30R:R:D298 7.565407
31R:R:R302 7.595416
32R:R:E305 8.045417
33R:R:P306 5.9025405
34R:R:C314 5.2025419
35R:R:F318 8.655419
36R:R:Y322 5.14519
37R:R:Y323 5.3675408
38R:R:W331 11.948539
39R:R:F332 5.4254119
40R:R:W339 9.1625409
41R:R:F360 6.9439
42R:R:H361 6.9525439
43R:R:L367 1.85405
44R:R:F391 7.462518
45R:R:Y394 9.386515
46R:R:K395 6.3875413
47R:R:R400 6.1475419
48R:R:G415 1.9025408
49R:R:I429 1.815407
50R:R:H433 4.38408
51R:R:F462 3.7375407
52R:R:I465 1.77405
53R:R:H470 8.174517
54R:R:F474 5.446516
55R:R:W480 13.995409
56R:R:F484 7.7525416
57R:R:N511 7.3575404
58R:R:K519 9.9825487
59R:R:W535 11.844509
60R:R:V536 5.4654108
61L:L:?1 9.47222910
62W:W:?1 10.5778910
   

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
1R:R:M131 R:R:Y85 12.7483.59YesYes059
2R:R:M131 R:R:Y130 17.50473.59YesYes057
3R:R:L92 R:R:V129 31.17634.47NoNo087
4R:R:L141 R:R:L92 12.88324.15NoNo078
5R:R:L92 R:R:R173 16.55343.64NoNo084
6R:R:Q123 R:R:W119 21.307919.71NoYes089
7R:R:F187 R:R:Q123 24.132121.08YesNo068
8R:R:F187 R:R:I185 28.72816.28YesYes464
9R:R:F166 R:R:V129 23.64973.93YesNo267
10R:R:W109 R:R:Y130 22.64856.75YesYes277
11R:R:L126 R:R:W109 25.88073.42NoYes097
12R:R:E211 R:R:V210 87.08574.28YesNo055
13R:R:C118 R:R:E211 1007.6NoYes095
14R:R:C118 R:R:C154 99.84257.28NoNo099
15R:R:C154 R:R:T150 99.35695.07NoYes097
16R:R:I122 R:R:T150 55.21757.6NoYes077
17R:R:I122 R:R:L125 28.83455.71NoYes077
18R:R:L125 R:R:L167 21.32014.15YesNo077
19R:R:F166 R:R:L167 30.762815.83YesNo067
20R:R:R151 R:R:T150 43.66829.06YesYes057
21R:R:L125 R:R:R151 29.47543.64YesYes075
22R:R:R151 R:R:W163 13.160412YesYes758
23R:R:L167 R:R:W163 11.10364.56NoYes078
24R:R:I122 R:R:L126 26.25439.99NoNo079
25R:R:Q192 R:R:W119 11.76114.38NoYes049
26R:R:G191 R:R:Q192 10.79313.29NoNo054
27R:R:E211 R:R:R117 18.15789.3YesNo055
28R:R:R117 R:R:W206 17.066820.99NoYes054
29R:R:L125 R:R:L146 36.92669.69YesNo076
30R:R:D172 R:R:R173 11.09583.57NoNo044
31R:R:L146 R:R:N180 36.06176.87NoNo065
32R:R:I185 R:R:V182 33.61354.61YesNo044
33R:R:N180 R:R:V182 35.2197.39NoNo054
34R:R:V210 R:R:Y207 84.44565.05NoYes157
35R:R:F484 R:R:Y207 87.46946.19YesYes167
36L:L:?1 R:R:F484 80.177913.94YesYes106
37R:R:F222 R:R:N219 18.39078.46YesYes067
38L:L:?1 R:R:N219 14.162812.94YesYes007
39R:R:W281 W:W:?1 14.38014.54YesYes170
40R:R:Y394 W:W:?1 14.89797.01YesYes150
41L:L:?1 R:R:Y394 73.42418.68YesYes105
42R:R:F252 R:R:F268 14.02428.57NoNo098
43R:R:F268 R:R:Y269 20.3715.16NoYes088
44R:R:W331 R:R:Y269 13.623914.47YesYes398
45R:R:W331 R:R:W365 45.278111.25YesNo399
46R:R:W365 R:R:Y323 60.40347.72NoYes098
47R:R:P368 R:R:Y323 61.80496.95NoYes098
48R:R:M326 R:R:P368 63.50693.35NoNo089
49R:R:M326 R:R:Y322 64.50155.99NoYes089
50R:R:F391 R:R:Y322 59.59514.13YesYes189
51R:R:F391 R:R:Y394 55.51028.25YesYes185
52R:R:H361 R:R:Y269 11.9745.44YesYes398
53R:R:H361 R:R:W365 14.768210.58YesNo399
54R:R:I266 R:R:W331 34.01827.05YesYes389
55R:R:I266 R:R:L335 32.58675.71YesNo088
56R:R:L335 R:R:W339 32.118821.64NoYes089
57R:R:W339 R:R:W535 13.793610.31YesYes099
58R:R:F455 R:R:W535 11.584817.04NoYes089
59R:R:R296 R:R:R302 19.25119.6YesYes166
60R:R:E305 R:R:R302 12.72813.96YesYes176
61R:R:E305 R:R:V381 14.48214.28YesNo178
62R:R:F318 R:R:V381 10.552515.73YesNo198
63R:R:F343 R:R:L346 10.47712.44NoNo096
64R:R:F343 R:R:W339 14.90352NoYes099
65R:R:F391 W:W:?1 13.548514.57YesYes180
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
R:R:F484 R:R:Y207 6.19 1 Yes Yes 6 7 1 2
R:R:V488 R:R:Y207 7.57 1 No Yes 6 7 2 2
R:R:I215 R:R:P220 5.08 0 No No 5 8 2 2
R:R:I215 R:R:M301 7.29 0 No No 5 4 2 1
R:R:N219 R:R:P220 6.52 0 Yes No 7 8 1 2
R:R:L221 R:R:N219 5.49 0 No Yes 6 7 2 1
R:R:F222 R:R:N219 8.46 0 Yes Yes 6 7 2 1
R:R:N219 R:R:V386 4.43 0 Yes No 7 5 1 2
L:L:?1 R:R:N219 12.94 1 Yes Yes 0 7 0 1
R:R:F484 R:R:P220 4.33 1 Yes No 6 8 1 2
R:R:L221 R:R:P513 6.57 0 No No 6 8 2 2
R:R:F222 R:R:P513 8.67 0 Yes No 6 8 2 2
R:R:F222 R:R:L515 3.65 0 Yes No 6 5 2 2
R:R:L303 R:R:M301 4.24 0 No No 3 4 2 1
L:L:?1 R:R:M301 5.71 1 Yes No 0 4 0 1
R:R:K395 R:R:Q380 4.07 1 Yes No 3 7 1 2
R:R:N396 R:R:Q380 11.88 1 No No 7 7 2 2
R:R:D382 R:R:Y394 6.9 0 No Yes 9 5 2 1
R:R:D384 R:R:V386 5.84 0 No No 8 5 2 2
R:R:D384 R:R:Y394 16.09 0 No Yes 8 5 2 1
R:R:F391 R:R:Y394 8.25 1 Yes Yes 8 5 2 1
R:R:F391 W:W:?1 14.57 1 Yes Yes 8 0 2 2
L:L:?1 R:R:Y394 8.68 1 Yes Yes 0 5 0 1
R:R:Y394 W:W:?1 7.01 1 Yes Yes 5 0 1 2
R:R:K395 R:R:N396 6.99 1 Yes No 3 7 1 2
R:R:E481 R:R:K395 4.05 1 No Yes 5 3 1 1
L:L:?1 R:R:K395 10.44 1 Yes Yes 0 3 0 1
R:R:D473 R:R:R400 10.72 0 No Yes 8 9 1 2
L:L:?1 R:R:D473 11.87 1 Yes No 0 8 0 1
R:R:N476 R:R:W480 25.99 0 No Yes 6 9 2 1
R:R:E481 R:R:Q477 6.37 1 No No 5 6 1 2
R:R:N511 R:R:W480 11.3 0 Yes Yes 4 9 2 1
R:R:P513 R:R:W480 14.86 0 No Yes 8 9 2 1
L:L:?1 R:R:W480 3.83 1 Yes Yes 0 9 0 1
L:L:?1 R:R:E481 8.92 1 Yes No 0 5 0 1
R:R:F484 R:R:V488 6.55 1 Yes No 6 6 1 2
L:L:?1 R:R:F484 13.94 1 Yes Yes 0 6 0 1
R:R:E518 R:R:L515 3.98 0 No No 7 5 1 2
R:R:E518 R:R:V517 7.13 0 No No 7 6 1 2
L:L:?1 R:R:E518 8.92 1 Yes No 0 7 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

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
R:R:I234 R:R:W281 7.05 0 No Yes 7 7 2 1
R:R:V321 R:R:W281 4.9 0 No Yes 8 7 2 1
R:R:I389 R:R:W281 5.87 0 No Yes 9 7 2 1
R:R:L522 R:R:W281 4.56 0 No Yes 7 7 2 1
R:R:M525 R:R:W281 9.31 1 No Yes 5 7 1 1
R:R:W281 W:W:?1 4.54 1 Yes Yes 7 0 1 0
R:R:F318 R:R:Y322 7.22 1 Yes Yes 9 9 2 2
R:R:F318 R:R:F391 6.43 1 Yes Yes 9 8 2 1
R:R:F318 R:R:V392 5.24 1 Yes No 9 9 2 2
R:R:F391 R:R:Y322 4.13 1 Yes Yes 8 9 1 2
R:R:L325 R:R:M525 4.24 0 No No 5 5 2 1
R:R:D382 R:R:Y394 6.9 0 No Yes 9 5 2 1
R:R:D384 R:R:Y394 16.09 0 No Yes 8 5 2 1
R:R:F391 R:R:V392 3.93 1 Yes No 8 9 1 2
R:R:F391 R:R:Y394 8.25 1 Yes Yes 8 5 1 1
R:R:F391 W:W:?1 14.57 1 Yes Yes 8 0 1 0
L:L:?1 R:R:Y394 8.68 1 Yes Yes 0 5 2 1
R:R:Y394 W:W:?1 7.01 1 Yes Yes 5 0 1 0
R:R:H470 R:R:R400 3.39 1 Yes Yes 7 9 1 2
R:R:F474 R:R:R400 7.48 1 Yes Yes 6 9 2 2
R:R:H470 R:R:V404 12.45 1 Yes No 7 7 1 1
R:R:V404 W:W:?1 5.94 1 No Yes 7 0 1 0
R:R:I408 R:R:V463 4.61 0 No No 7 7 1 2
R:R:I408 W:W:?1 9.96 0 No Yes 7 0 1 0
R:R:F462 R:R:T528 7.78 0 Yes No 7 7 2 1
R:R:H470 R:R:T466 6.85 1 Yes No 7 8 1 2
R:R:C469 R:R:N521 11.02 0 No No 7 8 2 1
R:R:F474 R:R:H470 7.92 1 Yes Yes 6 7 2 1
R:R:H470 W:W:?1 10.26 1 Yes Yes 7 0 1 0
R:R:N521 W:W:?1 5.48 0 No Yes 8 0 1 0
R:R:M525 W:W:?1 18.33 1 No Yes 5 0 1 0
R:R:T528 W:W:?1 19.11 0 No 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

PDB Summary
PDB 6XBL_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 3.35
Number of Linked Nodes 424
Number of Links 471
Number of Hubs 62
Number of Links mediated by Hubs 230
Number of Communities 11
Number of Nodes involved in Communities 73
Number of Links involved in Communities 96
Path Summary
Number Of Nodes in MetaPath 66
Number Of Links MetaPath 65
Number of Shortest Paths 156636
Length Of Smallest Path 3
Average Path Length 18.8752
Length of Longest Path 49
Minimum Path Strength 1.26
Average Path Strength 7.2894
Maximum Path Strength 20.425
Minimum Path Correlation 0.7
Average Path Correlation 0.963303
Maximum Path Correlation 1
Minimum % Of Corr. Nodes 3.125
Average % Of Corr. Nodes 58.8556
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 47.8185
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier• Transducin (heterotrimeric G protein), gamma chain   • Ras-like P-loop GTPases   • G protein-coupled receptor-like
SCOP2Family Identifier• Transducin (heterotrimeric G protein), gamma chain   • Ras-like P-loop GTPases   • G protein-coupled receptor-like
Membrane Protein Annotations-• Orientations of Proteins in Membranes database (OPM)   • Protein Data Bank of Transmembrane Proteins (PDBTM)   • MemProtMD


Details about the values in these tables can be found in the corresponding documentation page .
CodeV0S
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeV0S
Name3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
Synonyms
Identifier
FormulaC28 H28 Cl N3 O S
Molecular Weight490.059
SMILES
PubChem
Formal Charge0
Total Atoms62
Total Chiral Atoms0
Total Bonds66
Total Aromatic Bonds22

CodeCLR
PDB ResiduesW:W:?1
Environment DetailsOpen EMBL-EBI Page
CodeCLR
NameCholesterol
Synonyms
  • Cholesterin
  • Cholesterol
  • Cholest-5-en-3beta-ol
  • (3β,14β,17α)-cholest-5-en-3-ol
Identifier
FormulaC27 H46 O
Molecular Weight386.654
SMILES
PubChem5997
Formal Charge0
Total Atoms74
Total Chiral Atoms8
Total Bonds77
Total Aromatic Bonds0



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
4JKVFProteinFrizzledSMOHomo sapiensTaladegib--2.452013-04-24doi.org/10.1038/nature12167
4N4WFProteinFrizzledSMOHomo sapiens-SANT-1-2.82014-01-22doi.org/10.1038/ncomms5355
4O9RFProteinFrizzledSMOHomo sapiensCyclopamine--3.22014-03-05doi.org/10.1038/ncomms4309
4QIMFProteinFrizzledSMOHomo sapiensANTA XV--2.612014-07-23doi.org/10.1038/ncomms5355
4QINFProteinFrizzledSMOHomo sapiensSAG1.5--2.62014-07-23doi.org/10.1038/ncomms5355
5L7DFProteinFrizzledSMOHomo sapiens-Cholesterol-3.22016-07-20doi.org/10.1038/nature18934
5L7IFProteinFrizzledSMOHomo sapiensVismodegib--3.32016-07-20doi.org/10.1038/nature18934
5V56FProteinFrizzledSMOHomo sapiensTC114--2.92017-05-24doi.org/10.1038/ncomms15383
5V57FProteinFrizzledSMOHomo sapiensTC114--32017-05-24doi.org/10.1038/ncomms15383
6D32FProteinFrizzledSMOXenopus laevisCyclopamineCyclopamine-3.752018-05-23doi.org/10.1016/j.cell.2018.04.029
6D35FProteinFrizzledSMOXenopus laevis-Cholesterol-3.92018-05-23doi.org/10.1016/j.cell.2018.04.029
6OT0FProteinFrizzledSMOHomo sapiens-25(S)-EpoxycholesterolGi1/β1/γ23.842019-06-12doi.org/10.1038/s41586-019-1286-0
6OT0 (No Gprot) FProteinFrizzledSMOHomo sapiens-25(S)-Epoxycholesterol3.842019-06-12doi.org/10.1038/s41586-019-1286-0
6O3CFProteinFrizzledSMOMus musculusSAG21kCholesterol-2.82019-07-03doi.org/10.1038/s41586-019-1355-4
6XBJFProteinFrizzledSMOHomo sapiens-CholesterolGi1/β1/γ23.882020-09-30doi.org/10.1038/s41589-020-0646-2
6XBJ (No Gprot) FProteinFrizzledSMOHomo sapiens-Cholesterol3.882020-09-30doi.org/10.1038/s41589-020-0646-2
6XBKFProteinFrizzledSMOHomo sapiens-CholesterolGi1/β1/γ23.242020-09-30doi.org/10.1038/s41589-020-0646-2
6XBK (No Gprot) FProteinFrizzledSMOHomo sapiens-Cholesterol3.242020-09-30doi.org/10.1038/s41589-020-0646-2
6XBLFProteinFrizzledSMOHomo sapiensSAGCholesterolGi1/β1/γ23.962020-09-30doi.org/10.1038/s41589-020-0646-2
6XBL (No Gprot) FProteinFrizzledSMOHomo sapiensSAGCholesterol3.962020-09-30doi.org/10.1038/s41589-020-0646-2
6XBMFProteinFrizzledSMOHomo sapiens-25(S)-EpoxycholesterolGi1/β1/γ23.142020-09-30doi.org/10.1038/s41589-020-0646-2
6XBM (No Gprot) FProteinFrizzledSMOHomo sapiens-25(S)-Epoxycholesterol3.142020-09-30doi.org/10.1038/s41589-020-0646-2
7ZI0FProteinFrizzledSMOHomo sapiensSAGCholesterol-32022-06-15doi.org/10.1126/sciadv.abm5563
8CXOFProteinFrizzledSMOMus musculus---3.72022-08-03doi.org/10.1038/s41467-022-32125-2




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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