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:?501 7.955451110
2R:R:V140 3.0075408
3R:R:Y153 4.73714749
4R:R:D163 6.2925409
5R:R:F170 9.932517
6R:R:F174 6.204515
7R:R:H178 6.2625414
8R:R:F189 9.295419
9R:R:F200 6.875417
10R:R:V204 2.355407
11R:R:F208 7.0175457
12R:R:W241 5.856509
13R:R:L250 2405
14R:R:W255 5.842515
15R:R:I267 9.4275434
16R:R:H270 8.495413
17R:R:I271 5.8075413
18R:R:D272 7.95415
19R:R:Y275 4.91417
20R:R:W279 5.065406
21R:R:I280 4.245435
22R:R:Y294 6.38629
23R:R:Y296 8.088564
24R:R:D338 7.11407
25R:R:I348 4.5175428
26R:R:W356 4.935618
27R:R:L359 4.0975417
28R:R:M363 4.0575436
29R:R:I396 5.4825409
30R:R:Y397 4.916529
   

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:?501 R:R:F174 24.25175.26YesYes105
2R:R:F174 R:R:I119 32.1392.51YesNo055
3R:R:F381 R:R:I119 27.163215.07NoNo045
4R:R:F381 R:R:Q115 16.44612.88NoNo042
5R:R:N112 R:R:Q115 13.73535.28NoNo062
6R:R:N112 R:R:P113 11.01211.63NoNo062
7L:L:?501 R:R:F200 72.19056.14YesYes107
8R:R:C386 R:R:F200 92.2578.38NoYes177
9R:R:C386 R:R:W356 89.87893.92NoYes178
10R:R:C355 R:R:W356 50.37333.92NoYes088
11R:R:C355 R:R:N389 49.507411.02NoNo089
12R:R:N389 R:R:N393 48.691714.98NoNo099
13R:R:D163 R:R:N393 48.7674.04YesNo099
14R:R:D163 R:R:L159 49.14355.43YesNo099
15R:R:L159 R:R:L207 70.84145.54NoNo098
16R:R:L207 R:R:Y397 66.1485.86NoYes089
17R:R:I348 R:R:Y397 41.83973.63YesYes289
18R:R:I348 R:R:I396 40.10792.94YesYes089
19R:R:I396 R:R:V392 35.8853.07YesNo096
20R:R:L388 R:R:V392 34.38542.98NoNo056
21R:R:L388 R:R:T391 32.87324.42NoNo057
22R:R:T130 R:R:T391 23.53647.85NoNo077
23R:R:G127 R:R:T130 13.74793.64NoNo067
24R:R:G127 R:R:L126 10.38461.71NoNo066
25R:R:L287 R:R:W356 69.78733.42NoYes068
26R:R:L287 R:R:V204 80.96882.98NoYes067
27R:R:L286 R:R:V204 80.76172.98NoYes087
28R:R:F208 R:R:L286 80.633.65YesNo078
29R:R:F208 R:R:F289 10010.72YesNo576
30R:R:A293 R:R:F289 99.41654.16NoNo076
31R:R:A293 R:R:Y215 52.19932.67NoNo078
32R:R:Y215 R:R:Y296 45.052410.92NoYes684
33R:R:K300 R:R:Y296 85.147814.33NoYes054
34R:R:I218 R:R:K300 82.30534.36NoNo095
35R:R:I218 R:R:S217 79.6263.1NoNo098
36R:R:S217 R:R:Y224 76.78995.09NoNo087
37R:R:D213 R:R:Y224 68.174710.34NoNo097
38R:R:D213 R:R:S152 65.26324.42NoNo098
39R:R:S152 R:R:Y153 62.64042.54NoYes089
40R:R:L404 R:R:Y153 30.57665.86NoYes489
41R:R:L404 R:R:V140 27.94752.98NoYes088
42R:R:A293 R:R:Y292 46.18812.67NoNo074
43R:R:Y292 R:R:Y296 44.93947.94NoYes044
44R:R:I141 R:R:Y153 12.56823.63NoYes079
45R:R:A407 R:R:V140 15.64911.7NoYes078
46R:R:A407 R:R:R145 12.53692.77NoNo076
47R:R:F208 R:R:L209 45.93093.65YesNo076
48R:R:L159 R:R:S206 38.00599.01NoNo098
49R:R:L209 R:R:M240 41.0684.24NoNo066
50L:L:?501 R:R:T197 15.34177.43YesNo006
51R:R:G194 R:R:T197 14.09933.64NoNo066
52R:R:G194 R:R:G195 12.382.11NoNo064
53L:L:?501 R:R:F177 10.604311.39YesNo104
54R:R:F177 R:R:R182 10.158813.9NoNo044
55L:L:?501 R:R:F268 14.820919.28YesNo005
56R:R:F268 R:R:P269 12.65612.89NoNo053
57L:L:?501 R:R:I271 33.61365.14YesYes103
58R:R:I271 R:R:Y275 28.79464.84YesYes137
59R:R:F268 R:R:I267 18.027217.58NoYes054
60R:R:I267 R:R:M363 23.00315.83YesYes346
61R:R:I280 R:R:M363 10.56662.92YesYes356
62R:R:W279 R:R:W356 23.98824.69YesYes068
63R:R:T283 R:R:W279 13.5918.49NoYes086
64R:R:M363 R:R:W279 31.24184.65YesYes066
65R:R:L287 R:R:T283 13.66635.9NoNo068
66R:R:Y294 R:R:Y397 20.64384.96YesYes299
67R:R:L345 R:R:Y294 15.20368.21NoYes089
68R:R:L341 R:R:L345 10.19011.38NoNo088
69R:R:I267 R:R:K376 12.59961.45YesNo042
70R:R:K376 R:R:M371 10.75481.44NoNo021
71R:R:F170 R:R:F174 16.885216.08YesYes175
72R:R:F170 R:R:F200 18.52926.43YesYes177
73R:R:M240 R:R:S206 33.59483.07NoNo068
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:?501 R:R:F170 7.01 1 Yes Yes 0 7 0 1
L:L:?501 R:R:S173 5.4 1 Yes No 0 4 0 1
L:L:?501 R:R:F174 5.26 1 Yes Yes 0 5 0 1
L:L:?501 R:R:F177 11.39 1 Yes No 0 4 0 1
L:L:?501 R:R:H178 6.48 1 Yes Yes 0 4 0 1
L:L:?501 R:R:V196 8.58 1 Yes No 0 7 0 1
L:L:?501 R:R:T197 7.43 1 Yes No 0 6 0 1
L:L:?501 R:R:F200 6.14 1 Yes Yes 0 7 0 1
L:L:?501 R:R:F268 19.28 1 Yes No 0 5 0 1
L:L:?501 R:R:I271 5.14 1 Yes Yes 0 3 0 1
L:L:?501 R:R:S383 5.4 1 Yes No 0 6 0 1
R:R:H178 R:R:L111 3.86 1 Yes No 4 4 1 2
R:R:F170 R:R:F174 16.08 1 Yes Yes 7 5 1 1
R:R:F170 R:R:V196 9.18 1 Yes No 7 7 1 1
R:R:F170 R:R:F200 6.43 1 Yes Yes 7 7 1 1
R:R:F170 R:R:L387 10.96 1 Yes No 7 7 1 2
R:R:K192 R:R:S173 7.65 0 No No 6 4 2 1
R:R:F174 R:R:H178 4.53 1 Yes Yes 5 4 1 1
R:R:F177 R:R:H178 10.18 1 No Yes 4 4 1 1
R:R:F177 R:R:R182 13.9 1 No No 4 4 1 2
R:R:F189 R:R:L193 8.53 1 Yes No 9 4 2 2
R:R:F189 R:R:P269 8.67 1 Yes No 9 3 2 2
R:R:F189 R:R:I271 7.54 1 Yes Yes 9 3 2 1
R:R:L193 R:R:T197 2.95 1 No No 4 6 2 1
R:R:I271 R:R:L193 5.71 1 Yes No 3 4 1 2
R:R:G194 R:R:T197 3.64 0 No No 6 6 2 1
R:R:F200 R:R:V196 6.55 1 Yes No 7 7 1 1
R:R:C386 R:R:F200 8.38 1 No Yes 7 7 2 1
R:R:F268 R:R:I267 17.58 0 No Yes 5 4 1 2
R:R:F268 R:R:P269 2.89 0 No No 5 3 1 2
R:R:I271 R:R:Y275 4.84 1 Yes Yes 3 7 1 2
R:R:F379 R:R:S383 6.61 0 No No 4 6 2 1
R:R:F174 R:R:S123 2.64 1 Yes No 5 7 1 2
R:R:F174 R:R:I119 2.51 1 Yes No 5 5 1 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 6N4B_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 2.67
Number of Linked Nodes 256
Number of Links 273
Number of Hubs 30
Number of Links mediated by Hubs 116
Number of Communities 6
Number of Nodes involved in Communities 36
Number of Links involved in Communities 48
Path Summary
Number Of Nodes in MetaPath 74
Number Of Links MetaPath 73
Number of Shortest Paths 37211
Length Of Smallest Path 3
Average Path Length 15.9515
Length of Longest Path 34
Minimum Path Strength 1.355
Average Path Strength 5.84059
Maximum Path Strength 18.43
Minimum Path Correlation 0.7
Average Path Correlation 0.923823
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 3.84615
Average % Of Corr. Nodes 42.8105
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 34.4543
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier• G protein-coupled receptor-like   • Transducin (heterotrimeric G protein), gamma chain   • Ras-like P-loop GTPases
SCOP2Family Identifier• G protein-coupled receptor-like   • Transducin (heterotrimeric G protein), gamma chain   • Ras-like P-loop GTPases
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 .
CodeKCA
PDB ResiduesL:L:?501
Environment DetailsOpen EMBL-EBI Page
CodeKCA
Namemethyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate
Synonyms
Identifier
FormulaC22 H24 F N3 O3
Molecular Weight397.443
SMILES
PubChem119025665
Formal Charge0
Total Atoms53
Total Chiral Atoms1
Total Bonds55
Total Aromatic Bonds16

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP21554
Sequence
>6N4B_nogp_Chain_R
MVLNPSQQL AIAVLSLTL GTFTVLENL LVLCVILHS RSLRCRPSY 
HFIGSLAVA DLLGSVIFV YSFIDFHVF HRKDSRNVF LFKLGGVTA 
SFTASVGSL FLTAIDRYI SIHRPLAYK RIVTRPKAV VAFCLMWTI 
AIVIAVLPL LGWNCCSDI FPHIDETYL MFWIGVTSV LLLFIVYAY 
MYILWKAHS HAVRMIQRG TARMDIRLA KTLVLILVV LIICWGPLL 
AIMVYDVFG KMNKLIKTV FAFCSMLCL LNSTVNPII YALRSKDLR 
HAFRSM


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
5TGZALipidCannabinoidCB1Homo sapiensAM6538--2.82016-11-02doi.org/10.1016/j.cell.2016.10.004
5U09ALipidCannabinoidCB1Homo sapiensTaranabant--2.62016-12-07doi.org/10.1038/nature20613
5XR8ALipidCannabinoidCB1Homo sapiensAM12033--2.952017-07-12doi.org/10.1038/nature23272
5XRAALipidCannabinoidCB1Homo sapiensAM11542--2.82017-07-12doi.org/10.1038/nature23272
6N4BALipidCannabinoidCB1Homo sapiensMDMB-Fubinaca-Gi1/β1/γ232019-01-30doi.org/10.1016/j.cell.2018.11.040
6N4B (No Gprot) ALipidCannabinoidCB1Homo sapiensMDMB-Fubinaca-32019-01-30doi.org/10.1016/j.cell.2018.11.040
6KQIALipidCannabinoidCB1Homo sapiensCP55940Org27569-3.252019-10-23doi.org/10.1038/s41589-019-0387-2
6KPGALipidCannabinoidCB1Homo sapiensAM841-Gi1/β1/γ232020-02-12doi.org/10.1016/j.cell.2020.01.008
6KPG (No Gprot) ALipidCannabinoidCB1Homo sapiensAM841-32020-02-12doi.org/10.1016/j.cell.2020.01.008
7V3ZALipidCannabinoidCB1Homo sapiensCP55940--3.292021-11-24doi.org/10.1021/jacs.1c06847
7FEEALipidCannabinoidCB1Homo sapiensCP55940ZCZ011-2.72022-06-15doi.org/10.1038/s41589-022-01038-y
7WV9ALipidCannabinoidCB1Homo sapiensCP55940ZCZ011Gi2/β1/γ23.362022-06-15doi.org/10.1038/s41589-022-01038-y
7WV9 (No Gprot) ALipidCannabinoidCB1Homo sapiensCP55940ZCZ0113.362022-06-15doi.org/10.1038/s41589-022-01038-y
8GHVALipidCannabinoidCB1Homo sapiensAMG315-Gi1/β1/γ22.82023-05-24doi.org/10.1038/s41467-023-37864-4
8GHV (No Gprot) ALipidCannabinoidCB1Homo sapiensAMG315-2.82023-05-24doi.org/10.1038/s41467-023-37864-4
8IKGALipidCannabinoidCB1Homo sapiens-PubChem 703205Gi1/β1/γ13.42024-06-05doi.org/10.1073/pnas.2321532121
8IKG (No Gprot) ALipidCannabinoidCB1Homo sapiens-PubChem 7032053.42024-06-05doi.org/10.1073/pnas.2321532121
8IKHALipidCannabinoidCB1Homo sapiens-PubChem 171393541Gi1/β1/γ13.32024-06-05doi.org/10.1073/pnas.2321532121
8IKH (No Gprot) ALipidCannabinoidCB1Homo sapiens-PubChem 1713935413.32024-06-05doi.org/10.1073/pnas.2321532121
9ERXALipidCannabinoidCB1Homo sapiensD9-THC analog-Gi1/β1/γ22.92024-06-26doi.org/10.21203/rs.3.rs-4277209/v1
9ERX (No Gprot) ALipidCannabinoidCB1Homo sapiensD9-THC analog-2.92024-06-26doi.org/10.21203/rs.3.rs-4277209/v1
9B9ZALipidCannabinoidCB1Homo sapiensMRI-1867--3.32024-11-20doi.org/10.1038/s41467-024-54206-0
9BA0ALipidCannabinoidCB1Homo sapiensMRI-1891--3.132024-11-20doi.org/10.1038/s41467-024-54206-0
9B54ALipidCannabinoidCB1Homo sapiensVIP36-Gi1/β1/γ22.862025-03-05doi.org/10.1038/s41586-025-08618-7
9B54 (No Gprot) ALipidCannabinoidCB1Homo sapiensVIP36-2.862025-03-05doi.org/10.1038/s41586-025-08618-7
9B65ALipidCannabinoidCB1Homo sapiensMDMB-Fubinaca-Gi1/β1/γ23.032025-03-05doi.org/10.1038/s41586-025-08618-7
9B65 (No Gprot) ALipidCannabinoidCB1Homo sapiensMDMB-Fubinaca-3.032025-03-05doi.org/10.1038/s41586-025-08618-7
8K8JALipidCannabinoidCB1Homo sapiensFenofibrate-chim(Gs-CtGq)/β1/γ22.882024-02-14doi.org/10.1002/advs.202306311
8K8J (No Gprot) ALipidCannabinoidCB1Homo sapiensFenofibrate-2.882024-02-14doi.org/10.1002/advs.202306311
8GAGALipidCannabinoidCB1Homo sapiensZ8526711350-Gi1/β1/γ23.32024-02-28To be published
8GAG (No Gprot) ALipidCannabinoidCB1Homo sapiensZ8526711350-3.32024-02-28To be published
8WRZALipidCannabinoidCB1Homo sapiensAM841-Arrestin23.62024-02-28AM841
8WU1ALipidCannabinoidCB1Homo sapiensMDMB-Fubinaca-Arrestin23.22024-03-20doi.org/10.1016/j.cell.2023.11.017
9B9YALipidCannabinoidCB1Homo sapiensTaranabant--3.52024-11-20doi.org/10.1038/s41467-024-54206-0
9DGIALipidCannabinoidCB1Homo sapiensZ8526711350--3.352025-04-30doi.org/10.1038/s41467-025-57136-7
9EGOALipidCannabinoidCB1Homo sapiensZ8526711350-Gi1/β1/γ23.22025-04-30doi.org/10.1038/s41467-025-57136-7
9EGO (No Gprot) ALipidCannabinoidCB1Homo sapiensZ8526711350-3.22025-04-30doi.org/10.1038/s41467-025-57136-7




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).

Download 6N4B_nogp.zip



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