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:Q115 7.125452
2R:R:T130 5.878537
3R:R:Y153 6.0425409
4R:R:L159 5.6525429
5R:R:D163 5.912529
6R:R:F170 5.026517
7R:R:F174 4.6275415
8R:R:F177 5.665414
9R:R:F189 6.13333619
10R:R:F200 4.6775417
11R:R:Y215 6.046598
12R:R:R230 5.7975401
13R:R:W241 4.872569
14R:R:I267 6.6075404
15R:R:F268 10.6825415
16R:R:I271 4.925413
17R:R:Y275 7.282517
18R:R:L286 3.5075408
19R:R:Y294 6.12333689
20R:R:Y296 9.655494
21R:R:L341 1.4554108
22R:R:L345 4.355408
23R:R:L349 4.0625488
24R:R:W356 5.965428
25R:R:K376 5.035442
26R:R:F379 4.806504
27R:R:M384 4.36435
28R:R:L387 5.314537
29R:R:N393 5.12429
30L:L:?1 7.103751610
   

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:F268 R:R:I267 27.984710.05YesYes054
2L:L:?1 R:R:F268 27.608315.32YesYes105
3L:L:?1 R:R:F189 23.78222.7YesYes109
4R:R:D184 R:R:F189 18.10783.58NoYes029
5R:R:D184 R:R:R182 12.73673.57NoNo024
6R:R:D176 R:R:R182 11.36584.76NoNo034
7L:L:?1 R:R:F174 13.80983.6YesYes105
8R:R:F174 R:R:I119 19.5463.77YesNo055
9R:R:I119 R:R:Q115 17.14141.37NoYes052
10L:L:?1 R:R:F200 84.16762.7YesYes107
11R:R:C386 R:R:F200 99.62369.78NoYes077
12R:R:C386 R:R:W356 1003.92NoYes078
13R:R:N389 R:R:W356 70.734312.43NoYes298
14R:R:N389 R:R:N393 71.14446.81NoYes299
15R:R:D163 R:R:N393 37.41222.69YesYes299
16R:R:D163 R:R:N134 22.63618.08YesNo099
17R:R:N134 R:R:T130 21.39454.39NoYes097
18R:R:L387 R:R:T130 21.56865.9YesYes377
19R:R:D163 R:R:S390 22.63618.83YesNo099
20R:R:S390 R:R:T130 21.39457.99NoYes097
21R:R:L387 R:R:M384 10.91634.24YesYes375
22R:R:S167 R:R:T130 10.78156.4NoYes377
23R:R:A160 R:R:L138 31.92316.3NoNo097
24R:R:L138 R:R:V161 32.38382.98NoNo076
25R:R:V161 R:R:W241 32.84453.68NoYes069
26R:R:S158 R:R:W241 33.98516.18NoYes699
27R:R:S158 R:R:S206 36.62576.52NoNo098
28R:R:L159 R:R:S206 40.1097.51YesNo098
29R:R:L159 R:R:N393 30.72645.49YesYes299
30R:R:L404 R:R:Y153 10.236510.55NoYes089
31R:R:I156 R:R:Y153 27.47913.63NoYes089
32R:R:G157 R:R:I156 27.98471.76NoNo068
33R:R:A160 R:R:G157 28.50161.95NoNo096
34R:R:P151 R:R:R230 14.42785.76NoYes051
35R:R:P151 R:R:R150 21.1362.88NoNo055
36R:R:R150 R:R:Y153 21.70916.17NoYes059
37R:R:P151 R:R:V228 20.8273.53NoNo056
38R:R:I216 R:R:V228 21.81581.54NoNo056
39R:R:I216 R:R:Y215 22.37772.42NoYes058
40R:R:A293 R:R:Y215 33.3671.33NoYes078
41R:R:A293 R:R:Y294 34.23791.33NoYes079
42R:R:L349 R:R:Y294 57.61564.69YesYes889
43R:R:L349 R:R:V291 63.27884.47YesNo085
44R:R:I353 R:R:V291 63.73953.07NoNo065
45R:R:I353 R:R:L352 64.20024.28NoNo069
46R:R:I290 R:R:L352 65.17784.28NoNo089
47R:R:F208 R:R:I290 65.69472.51NoNo078
48R:R:F208 R:R:L286 67.21164.87NoYes078
49R:R:L286 R:R:V204 69.34665.96YesNo087
50R:R:V204 R:R:W356 69.91974.9NoYes078
51R:R:I297 R:R:L345 24.94522.85NoYes098
52R:R:L345 R:R:Y294 46.772311.72YesYes089
53L:L:?1 R:R:Y275 11.8495.2YesYes107
54R:R:D366 R:R:I267 10.45567NoYes044
55R:R:F379 R:R:I267 11.45575.02YesYes044
56L:L:?1 R:R:W279 12.680516.01YesNo006
57R:R:T283 R:R:W279 11.45577.28NoNo086
58R:R:L298 R:R:L345 18.55161.38NoYes068
59R:R:A301 R:R:D338 19.10781.54NoNo087
60R:R:A301 R:R:L341 29.75451.58NoYes088
61R:R:I297 R:R:L341 15.96721.43NoYes1098
62R:R:L298 R:R:L341 16.09081.38NoYes068
63R:R:D338 R:R:I339 10.98387NoNo075
64R:R:F170 R:R:F200 13.72553.22YesYes177
65R:R:F170 R:R:F174 10.04553.22YesYes175
66R:R:D163 R:R:L159 10.10734.07YesYes299
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:F174 R:R:I119 3.77 1 Yes No 5 5 1 2
R:R:F200 R:R:G166 3.01 1 Yes No 7 8 1 2
R:R:I169 R:R:V196 3.07 0 No No 5 7 2 1
R:R:F170 R:R:F174 3.22 1 Yes Yes 7 5 1 1
R:R:F170 R:R:V196 5.24 1 Yes No 7 7 1 1
R:R:F170 R:R:F200 3.22 1 Yes Yes 7 7 1 1
R:R:F170 R:R:S383 2.64 1 Yes No 7 6 1 1
L:L:?1 R:R:F170 10.81 1 Yes Yes 0 7 0 1
R:R:K192 R:R:S173 6.12 1 No No 6 4 1 1
L:L:?1 R:R:S173 10 1 Yes No 0 4 0 1
R:R:F174 R:R:H178 7.92 1 Yes No 5 4 1 2
L:L:?1 R:R:F174 3.6 1 Yes Yes 0 5 0 1
R:R:F177 R:R:H178 7.92 1 Yes No 4 4 1 2
R:R:F177 R:R:F189 5.36 1 Yes Yes 4 9 1 1
R:R:F177 R:R:P269 5.78 1 Yes No 4 3 1 2
L:L:?1 R:R:F177 3.6 1 Yes Yes 0 4 0 1
R:R:D184 R:R:F189 3.58 0 No Yes 2 9 2 1
R:R:F189 R:R:L193 4.87 1 Yes No 9 4 1 1
R:R:F189 R:R:P269 10.11 1 Yes No 9 3 1 2
R:R:F189 R:R:H270 10.18 1 Yes No 9 3 1 2
L:L:?1 R:R:F189 2.7 1 Yes Yes 0 9 0 1
L:L:?1 R:R:K192 4.17 1 Yes No 0 6 0 1
R:R:I271 R:R:L193 2.85 1 Yes No 3 4 1 1
L:L:?1 R:R:L193 9.22 1 Yes No 0 4 0 1
L:L:?1 R:R:V196 5.51 1 Yes No 0 7 0 1
R:R:I247 R:R:T197 3.04 0 No No 5 6 2 1
L:L:?1 R:R:T197 12 1 Yes No 0 6 0 1
R:R:C386 R:R:F200 9.78 0 No Yes 7 7 2 1
L:L:?1 R:R:F200 2.7 1 Yes Yes 0 7 0 1
R:R:I247 R:R:Y275 8.46 0 No Yes 5 7 2 1
R:R:L250 R:R:Y275 9.38 0 No Yes 5 7 2 1
R:R:P251 R:R:Y275 9.74 0 No Yes 6 7 2 1
R:R:F268 R:R:I267 10.05 1 Yes Yes 5 4 1 2
R:R:F268 R:R:I271 10.05 1 Yes Yes 5 3 1 1
R:R:F268 R:R:L276 7.31 1 Yes No 5 5 1 1
L:L:?1 R:R:F268 15.32 1 Yes Yes 0 5 0 1
R:R:H270 R:R:P269 4.58 1 No No 3 3 2 2
R:R:I271 R:R:Y275 3.63 1 Yes Yes 3 7 1 1
L:L:?1 R:R:I271 3.17 1 Yes Yes 0 3 0 1
L:L:?1 R:R:Y275 5.2 1 Yes Yes 0 7 0 1
L:L:?1 R:R:L276 4.1 1 Yes No 0 5 0 1
R:R:T283 R:R:W279 7.28 0 No No 8 6 2 1
L:L:?1 R:R:W279 16.01 1 Yes No 0 6 0 1
L:L:?1 R:R:S383 5.55 1 Yes No 0 6 0 1
R:R:G194 R:R:T197 1.82 0 No No 6 6 2 1
R:R:L276 R:R:V367 1.49 1 No No 5 4 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 8GAG_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 2.51
Number of Linked Nodes 243
Number of Links 265
Number of Hubs 30
Number of Links mediated by Hubs 120
Number of Communities 10
Number of Nodes involved in Communities 51
Number of Links involved in Communities 67
Path Summary
Number Of Nodes in MetaPath 67
Number Of Links MetaPath 66
Number of Shortest Paths 34424
Length Of Smallest Path 3
Average Path Length 14.9224
Length of Longest Path 30
Minimum Path Strength 1.27
Average Path Strength 5.30899
Maximum Path Strength 14.38
Minimum Path Correlation 0.7
Average Path Correlation 0.929066
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 4.16667
Average % Of Corr. Nodes 51.7994
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 40.5027
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 .
CodeYVF
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeYVF
Namemethyl (2R)-2-({(1M)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonyl}amino)-2-(thiophen-2-yl)propanoate
Synonyms
Identifier
FormulaC20 H18 F3 N3 O3 S
Molecular Weight437.435
SMILES
PubChem170838490
Formal Charge0
Total Atoms48
Total Chiral Atoms1
Total Bonds50
Total Aromatic Bonds16

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP21554
Sequence
>8GAG_nogp_Chain_R
FMVLNPSQQ LAIAVLSLT LGTFTVLEN LLVLCVIRC RPSYHFIGS 
LAVADLLGS VIFVYSFID FHVFHRKDS RNVFLFKLG GVTASFTAS 
VGSLFLTAI DRYISIHRP LAYKRIVTR PKAVVAFCL MWTIAIVIA 
VLPLLDIFP HIDETYLMF WIGVTSVLL LFIVYAYMY ILWKAHSHA 
VRMIQRGTA RMDIRLAKT LVLILVVLI ICWGPLLAI MVYDVFGKM 
NKLIKTVFA FCSMLCLLN STVNPIIYA LRSKDLRHA FRSM


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 8GAG_nogp.zip



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