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:S47 4.0125447
2R:R:V54 2.51409
3R:R:Y70 7.672508
4R:R:L76 4.5175429
5R:R:F81 4.85407
6R:R:F87 7.566516
7R:R:F94 10.895413
8R:R:F106 5.248519
9R:R:I110 4.5775414
10R:R:F117 7.096516
11R:R:D130 6.53439
12R:R:Y132 6.385408
13R:R:L145 2.875436
14R:R:L154 4.48658
15R:R:M157 4.754556
16R:R:W158 6.03333659
17R:R:Y166 5.0425404
18R:R:F183 10.44416
19R:R:I186 4.704515
20R:R:Y190 9.524517
21R:R:W194 9.36667615
22R:R:F197 4.295405
23R:R:I198 6.186517
24R:R:F202 4.976517
25R:R:Y209 6.89529
26R:R:L239 2.8475465
27R:R:D240 4.7725407
28R:R:L247 4.235428
29R:R:V250 3.8528
30R:R:W258 6.32143718
31R:R:M265 4.31416
32R:R:F281 7.9925414
33R:R:N291 7.495409
34R:R:S292 4.9575449
35R:R:V294 3.8625426
36R:R:I298 4.5825429
37R:R:Y299 5.255629
38L:L:?1 8.717651710
   

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:F94 R:R:M26 37.49797.46YesNo036
2L:L:?1 R:R:F94 38.43720.52YesYes103
3R:R:H98 R:R:M26 33.34855.25NoNo046
4R:R:K279 R:R:L28 12.83518.46NoNo026
5R:R:K33 R:R:L28 26.20522.82NoNo056
6R:R:K33 R:R:S29 30.52543.06NoNo057
7R:R:H98 R:R:S29 31.94269.76NoNo047
8R:R:L28 R:R:Q32 12.630213.31NoNo065
9R:R:L43 R:R:M293 15.41355.65NoNo066
10R:R:M293 R:R:S47 18.35627.67NoYes067
11R:R:S292 R:R:S47 22.84143.26YesYes497
12R:R:D80 R:R:S292 30.8110.31NoYes099
13R:R:D80 R:R:N295 43.112.69NoNo099
14R:R:N291 R:R:N295 44.453310.9YesNo099
15R:R:N291 R:R:W258 1006.78YesYes098
16L:L:?1 R:R:W258 84.25075.29YesYes108
17R:R:D80 R:R:N51 12.72710.77NoNo099
18R:R:L301 R:R:V54 11.50321.49NoYes069
19R:R:L301 R:R:V297 12.8181.49NoNo066
20R:R:V294 R:R:V297 14.2411.6YesNo066
21R:R:N291 R:R:V294 79.79964.43YesYes096
22R:R:L57 R:R:S309 12.12933NoNo087
23R:R:S309 R:R:S61 14.87851.63NoNo077
24R:R:L64 R:R:S61 27.15589.01NoNo087
25R:R:L64 R:R:Y70 41.795210.55NoYes088
26R:R:K67 R:R:Y70 30.96938.36NoYes068
27R:R:K67 R:R:P68 32.35243.35NoNo065
28R:R:L145 R:R:P68 33.57623.28YesNo065
29R:R:L133 R:R:L145 72.56532.77NoYes356
30R:R:I129 R:R:L133 75.25192.85NoNo065
31R:R:I129 R:R:L125 76.43585.71NoNo066
32R:R:I205 R:R:L125 62.58757.14NoNo086
33R:R:I205 R:R:L254 63.64052.85NoNo089
34R:R:L254 R:R:W258 63.81134.56NoYes198
35R:R:S69 R:R:Y70 31.32795.09NoYes088
36R:R:D130 R:R:S69 32.55175.89YesNo098
37R:R:D130 R:R:L145 38.11264.07YesYes396
38R:R:I306 R:R:L64 12.14642.85NoNo088
39R:R:I306 R:R:S303 12.29446.19NoNo088
40R:R:S303 R:R:Y70 14.96957.63NoYes088
41R:R:I306 R:R:I58 18.5272.94NoNo088
42R:R:I58 R:R:L59 12.36841.43NoNo084
43R:R:L154 R:R:L71 12.95462.77YesNo084
44R:R:L154 R:R:W158 10.45595.69YesYes589
45R:R:M115 R:R:W158 17.09263.49NoYes059
46R:R:M115 R:R:S165 14.03616.13NoNo057
47R:R:S165 R:R:T114 14.9983.2NoNo074
48L:L:?1 R:R:T114 13.307510.28YesNo104
49R:R:I298 R:R:Y299 14.34346.04YesYes299
50R:R:I298 R:R:V294 76.30494.61YesYes296
51R:R:S123 R:R:S75 10.55844.89NoNo089
52R:R:M157 R:R:S123 13.043.07YesNo068
53R:R:L76 R:R:Y299 24.1793.52YesYes299
54L:L:?1 R:R:I110 10.27387.46YesYes104
55R:R:S161 R:R:T118 10.88283.2NoNo086
56R:R:I198 R:R:W194 10.228214.09YesYes175
57R:R:A119 R:R:S161 10.38763.42NoNo078
58R:R:I198 R:R:V121 16.58033.07YesNo178
59R:R:F202 R:R:W258 10.0126.01YesYes178
60R:R:L201 R:R:V121 21.95914.47NoNo078
61R:R:I298 R:R:V250 61.86473.07YesYes298
62R:R:L247 R:R:V250 64.47152.98YesYes288
63R:R:L247 R:R:V212 62.13222.98YesNo089
64R:R:V212 R:R:Y132 20.36543.79NoYes098
65R:R:R136 R:R:Y132 13.791311.32NoYes068
66R:R:L135 R:R:V212 45.30144.47NoNo099
67L:L:?1 R:R:Y190 12.64163.41YesYes107
68R:R:C174 R:R:P187 10.7695.65NoNo054
69R:R:D240 R:R:V220 19.42065.84YesNo075
70R:R:L239 R:R:V220 22.40314.47YesNo055
71R:R:L239 R:R:L243 20.37682.77YesNo657
72R:R:L135 R:R:L243 21.88512.77NoNo697
73R:R:A216 R:R:L239 20.57031.58NoYes685
74R:R:A216 R:R:L135 22.09571.58NoNo689
75R:R:H219 R:R:L223 12.99452.57NoNo076
76R:R:H219 R:R:L239 15.99982.57NoYes075
77R:R:C284 R:R:L287 10.37621.59NoNo048
78R:R:I290 R:R:L287 12.06671.43NoNo048
79R:R:I290 R:R:L43 13.74581.43NoNo046
80R:R:L76 R:R:S123 22.1476.01YesNo098
81R:R:A119 R:R:W158 10.05756.48NoYes079
82R:R:L125 R:R:L201 15.14034.15NoNo067
83R:R:V250 R:R:Y299 14.41176.31YesYes289
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:P184 R:R:Y25 6.95 1 No No 5 4 1 2
R:R:F94 R:R:M26 7.46 1 Yes No 3 6 1 2
R:R:A83 R:R:T116 3.36 1 No No 8 7 2 2
R:R:A83 R:R:F117 4.16 1 No Yes 8 6 2 1
R:R:F87 R:R:F91 8.57 1 Yes No 6 6 1 2
R:R:F87 R:R:V113 5.24 1 Yes No 6 5 1 2
R:R:F117 R:R:F87 7.5 1 Yes Yes 6 6 1 1
R:R:F87 R:R:S285 6.61 1 Yes No 6 5 1 1
L:L:?1 R:R:F87 9.91 1 Yes Yes 0 6 0 1
R:R:K109 R:R:S90 4.59 1 No No 5 4 1 1
L:L:?1 R:R:S90 4.36 1 Yes No 0 4 0 1
R:R:F91 R:R:H95 11.31 0 No No 6 4 2 2
R:R:F94 R:R:H95 11.31 1 Yes No 3 4 1 2
R:R:F106 R:R:F94 4.29 1 Yes Yes 9 3 1 1
L:L:?1 R:R:F94 20.52 1 Yes Yes 0 3 0 1
R:R:D101 R:R:F106 3.58 0 No Yes 2 9 2 1
R:R:D101 R:R:K109 5.53 0 No No 2 5 2 1
R:R:F106 R:R:K103 6.2 1 Yes No 9 3 1 2
R:R:F106 R:R:P184 7.22 1 Yes No 9 5 1 1
L:L:?1 R:R:F106 4.95 1 Yes Yes 0 9 0 1
L:L:?1 R:R:K109 5.74 1 Yes No 0 5 0 1
R:R:G111 R:R:I110 3.53 0 No Yes 6 4 2 1
R:R:I110 R:R:I186 5.89 1 Yes Yes 4 5 1 1
L:L:?1 R:R:I110 7.46 1 Yes Yes 0 4 0 1
R:R:S165 R:R:T114 3.2 0 No No 7 4 2 1
R:R:T114 R:R:W194 4.85 1 No Yes 4 5 1 1
L:L:?1 R:R:T114 10.28 1 Yes No 0 4 0 1
R:R:F117 R:R:T116 3.89 1 Yes No 6 7 1 2
R:R:F117 R:R:W258 10.02 1 Yes Yes 6 8 1 1
L:L:?1 R:R:F117 9.91 1 Yes Yes 0 6 0 1
R:R:T118 R:R:W194 6.06 1 No Yes 6 5 2 1
R:R:I198 R:R:T118 3.04 1 Yes No 7 6 2 2
R:R:P168 R:R:Y190 23.64 0 No Yes 5 7 2 1
R:R:W172 R:R:Y190 7.72 0 No Yes 5 7 2 1
R:R:I186 R:R:S180 4.64 1 Yes No 5 4 1 2
R:R:L191 R:R:S180 4.5 0 No No 5 4 2 2
R:R:F183 R:R:L182 8.53 1 Yes No 6 4 1 2
R:R:F281 R:R:L182 10.96 1 Yes No 4 4 1 2
R:R:F183 R:R:I186 6.28 1 Yes Yes 6 5 1 1
R:R:F183 R:R:F281 6.43 1 Yes Yes 6 4 1 1
L:L:?1 R:R:F183 20.52 1 Yes Yes 0 6 0 1
L:L:?1 R:R:P184 3.82 1 Yes No 0 5 0 1
R:R:I186 R:R:P187 3.39 1 Yes No 5 4 1 2
L:L:?1 R:R:I186 3.32 1 Yes Yes 0 5 0 1
R:R:P187 R:R:Y190 4.17 0 No Yes 4 7 2 1
R:R:W194 R:R:Y190 8.68 1 Yes Yes 5 7 1 1
L:L:?1 R:R:Y190 3.41 1 Yes Yes 0 7 0 1
R:R:L191 R:R:M265 2.83 0 No Yes 5 6 2 1
R:R:I198 R:R:W194 14.09 1 Yes Yes 7 5 2 1
R:R:M265 R:R:W194 4.65 1 Yes Yes 6 5 1 1
L:L:?1 R:R:W194 17.87 1 Yes Yes 0 5 0 1
R:R:L195 R:R:M265 5.65 0 No Yes 4 6 2 1
R:R:F202 R:R:I198 5.02 1 Yes Yes 7 7 2 2
R:R:F202 R:R:L254 3.65 1 Yes No 7 9 2 2
R:R:F202 R:R:W258 6.01 1 Yes Yes 7 8 2 1
R:R:L254 R:R:W258 4.56 1 No Yes 9 8 2 1
R:R:C288 R:R:W258 9.14 0 No Yes 7 8 2 1
R:R:N291 R:R:W258 6.78 0 Yes Yes 9 8 2 1
L:L:?1 R:R:W258 5.29 1 Yes Yes 0 8 0 1
L:L:?1 R:R:M265 4.11 1 Yes Yes 0 6 0 1
R:R:F281 R:R:S285 3.96 1 Yes No 4 5 1 1
L:L:?1 R:R:F281 10.62 1 Yes Yes 0 4 0 1
L:L:?1 R:R:S285 6.11 1 Yes No 0 5 0 1
R:R:V261 R:R:W258 2.45 0 No Yes 6 8 2 1
R:R:I110 R:R:L107 1.43 1 Yes No 4 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 8GUT_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 2.82
Number of Linked Nodes 263
Number of Links 302
Number of Hubs 38
Number of Links mediated by Hubs 149
Number of Communities 7
Number of Nodes involved in Communities 57
Number of Links involved in Communities 83
Path Summary
Number Of Nodes in MetaPath 84
Number Of Links MetaPath 83
Number of Shortest Paths 43630
Length Of Smallest Path 3
Average Path Length 13.2897
Length of Longest Path 31
Minimum Path Strength 1.01
Average Path Strength 5.36695
Maximum Path Strength 17.4933
Minimum Path Correlation 0.7
Average Path Correlation 0.927191
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 4
Average % Of Corr. Nodes 48.6825
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 42.3134
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 .
CodeKO8
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeKO8
Name1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
Synonyms
Identifier
FormulaC25 H31 F N4 O3
Molecular Weight454.537
SMILES
PubChem46219896
Formal Charge0
Total Atoms64
Total Chiral Atoms0
Total Bonds67
Total Aromatic Bonds12

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP34972
Sequence
>8GUT_nogp_Chain_R
PMKDYMILS GPQKTAVAV LCTLLGLLS ALENVAVLY LILSSHQLR 
RKPSYLFIG SLAGADFLA SVVFACSFV NFHVFHGVD SKAVFLLKI 
GSVTMTFTA SVGSLLLTA IDRYLCLRY PPSYKALLT RGRALVTLG 
IMWVLSALV SYLPLMGWT CCPRPCSEL FPLIPNDYL LSWLLFIAF 
LFSGIIYTY GHVLWKAHQ HVASLSGHQ MRLDVRLAK TLGLVLAVL 
LICWFPVLA LMAHSLATT LSDQVKKAF AFCSMLCLI NSMVNPVIY 
ALRSGEIRS SAHHCLAHW KK


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
5ZTYALipidCannabinoidCB2Homo sapiensAM10257--2.82019-01-30doi.org/10.1016/j.cell.2018.12.011
6PT0ALipidCannabinoidCB2Homo sapiensWIN 55212-2-Gi1/β1/γ23.22020-02-12doi.org/10.1016/j.cell.2020.01.007
6PT0 (No Gprot) ALipidCannabinoidCB2Homo sapiensWIN 55212-2-3.22020-02-12doi.org/10.1016/j.cell.2020.01.007
6KPCALipidCannabinoidCB2Homo sapiensPubChem 145915889--3.22020-02-12doi.org/10.1016/j.cell.2020.01.008
6KPFALipidCannabinoidCB2Homo sapiensPubChem 145915889-Gi1/β1/γ22.92020-02-12doi.org/10.1016/j.cell.2020.01.008
6KPF (No Gprot) ALipidCannabinoidCB2Homo sapiensPubChem 145915889-2.92020-02-12doi.org/10.1016/j.cell.2020.01.008
8GUQALipidCannabinoidCB2Homo sapiensOlorinab-Gi1/β1/γ23.082023-05-10doi.org/10.1038/s41467-023-37112-9
8GUQ (No Gprot) ALipidCannabinoidCB2Homo sapiensOlorinab-3.082023-05-10doi.org/10.1038/s41467-023-37112-9
8GURALipidCannabinoidCB2Homo sapiensCP55,940-Gi1/β1/γ22.842023-05-10doi.org/10.1038/s41467-023-37112-9
8GUR (No Gprot) ALipidCannabinoidCB2Homo sapiensCP55,940-2.842023-05-10doi.org/10.1038/s41467-023-37112-9
8GUSALipidCannabinoidCB2Homo sapiensHU-308-Gi1/β1/γ22.972023-05-10doi.org/10.1038/s41467-023-37112-9
8GUS (No Gprot) ALipidCannabinoidCB2Homo sapiensHU-308-2.972023-05-10doi.org/10.1038/s41467-023-37112-9
8GUTALipidCannabinoidCB2Homo sapiensLEI-102-Gi1/β1/γ22.982023-05-10doi.org/10.1038/s41467-023-37112-9
8GUT (No Gprot) ALipidCannabinoidCB2Homo sapiensLEI-102-2.982023-05-10doi.org/10.1038/s41467-023-37112-9
8X3LALipidCannabinoidCB2Homo sapiensXWD-Gi1/β1/γ23.132024-11-20doi.org/10.1073/pnas.2401091121
8X3L (No Gprot) ALipidCannabinoidCB2Homo sapiensXWD-3.132024-11-20doi.org/10.1073/pnas.2401091121




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 8GUT_nogp.zip



You can click to copy the link of this page to easily come back here later

or use this QR code to link and share this page.



You can also  read or  download a guide explaining the meaning of all files and numerical data.