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:?1 7.946921310
2R:R:M26 3.2825416
3R:R:L28 3.435416
4R:R:L64 4.426528
5R:R:Y70 6.525628
6R:R:F72 6.14408
7R:R:F81 4.58407
8R:R:F87 6.12416
9R:R:F91 6.3325406
10R:R:H95 6.475414
11R:R:F117 3.72416
12R:R:D130 6.0875459
13R:R:Y132 4.69408
14R:R:Y137 6.97405
15R:R:Y141 3.976557
16R:R:R147 1.472503
17R:R:L154 3.9975408
18R:R:Y166 4.555404
19R:R:F183 7.33406
20R:R:Y190 6.09417
21R:R:W194 7.91833615
22R:R:Y209 4.78667639
23R:R:D240 5.9407
24R:R:W258 3.78667618
25R:R:L273 3.5875401
26R:R:C288 3.265417
27R:R:I298 2.0875409
28R:R:Y299 4.905639
29R:R:S303 6.1175428
30R:R:E305 5.7825426
   

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:?1 R:R:F183 43.478117.53YesYes006
2L:L:?1 R:R:F94 23.98847.79YesNo103
3R:R:F94 R:R:M26 12.10553.73NoYes136
4R:R:F94 R:R:H95 10.79269.05NoYes134
5R:R:H95 R:R:L28 10.14723.86YesYes146
6R:R:K279 R:R:L28 14.01554.23NoYes026
7R:R:K279 R:R:Q32 11.22654.07NoNo025
8L:L:?1 R:R:F87 36.69845.84YesYes106
9R:R:F87 R:R:F91 31.302210.72YesYes066
10R:R:C40 R:R:F91 29.51452.79NoYes066
11R:R:C40 R:R:M286 28.18313.24NoNo065
12R:R:L39 R:R:M286 24.14424.24NoNo055
13R:R:L39 R:R:L43 22.78312.77NoNo056
14R:R:L43 R:R:M293 10.19927.07NoNo066
15R:R:G44 R:R:L43 11.6271.71NoNo076
16R:R:G44 R:R:S47 10.19921.86NoNo077
17L:L:?1 R:R:F117 56.74812.92YesYes106
18R:R:F117 R:R:W258 57.19695.01YesYes168
19R:R:N291 R:R:W258 46.84573.39NoYes098
20R:R:N291 R:R:N295 43.518910.9NoNo099
21R:R:D80 R:R:N295 42.39512.69NoNo099
22R:R:D80 R:R:N51 38.979312.12NoNo099
23R:R:N51 R:R:P296 37.82596.52NoNo099
24L:L:?1 R:R:C288 56.78522.54YesYes107
25R:R:C288 R:R:W258 57.17462.61YesYes178
26R:R:P296 R:R:V54 34.32111.77NoNo099
27R:R:A77 R:R:V54 30.74953.39NoNo099
28R:R:A77 R:R:G74 27.11121.95NoNo097
29R:R:G74 R:R:I58 25.88361.76NoNo078
30R:R:I58 R:R:Y70 24.64864.84NoYes088
31R:R:L64 R:R:Y70 11.9469.38YesYes288
32R:R:L64 R:R:S61 11.03363YesNo087
33R:R:L254 R:R:W258 1003.42NoYes098
34R:R:L124 R:R:L254 99.35842.77NoNo089
35R:R:L124 R:R:L76 49.56055.54NoNo089
36R:R:L76 R:R:S123 48.54434.5NoNo098
37R:R:S123 R:R:S75 47.56154.89NoNo089
38R:R:L154 R:R:S75 46.60099.01YesNo089
39R:R:F72 R:R:L154 39.09432.44YesYes088
40R:R:A150 R:R:F72 15.57322.77NoYes078
41R:R:A150 R:R:L71 14.31591.58NoNo074
42R:R:L71 R:R:R147 11.77912.43NoYes043
43R:R:D130 R:R:F72 23.02797.17YesYes098
44R:R:D130 R:R:Y141 18.97045.75YesYes597
45R:R:F183 R:R:I186 11.6795.02YesNo065
46R:R:I186 R:R:P187 10.22885.08NoNo054
47L:L:?1 R:R:T114 12.565410.61YesNo104
48R:R:S165 R:R:T114 11.68643.2NoNo074
49R:R:L124 R:R:Y299 55.87663.52NoYes089
50R:R:Y209 R:R:Y299 45.63664.96YesYes399
51R:R:A128 R:R:Y209 18.8746.67NoYes099
52R:R:A128 R:R:T208 17.85413.36NoNo096
53R:R:T208 R:R:Y132 15.99972.5NoYes068
54R:R:R136 R:R:Y132 19.823510.29NoYes068
55R:R:L247 R:R:Y209 20.14985.86NoYes089
56R:R:L247 R:R:V212 17.07532.98NoNo089
57R:R:V212 R:R:Y132 16.14813.79NoYes098
58R:R:C134 R:R:Y141 16.34098.06NoYes087
59R:R:R136 R:R:Y137 17.765121.61NoYes065
60R:R:F183 R:R:L191 28.49832.44YesNo065
61R:R:L191 R:R:S180 21.74463NoNo054
62R:R:L182 R:R:S180 20.35013NoNo044
63R:R:E181 R:R:L182 10.20661.33NoNo044
64R:R:H211 R:R:Y132 12.08692.18NoYes058
65R:R:C134 R:R:L135 14.98351.59NoNo089
66R:R:A216 R:R:L135 13.61121.58NoNo089
67R:R:A216 R:R:D240 11.13751.54NoYes087
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:F87 5.84 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F94 7.79 1 Yes No 0 3 0 1
L:L:?1 R:R:I110 5.71 1 Yes No 0 4 0 1
L:L:?1 R:R:T114 10.61 1 Yes No 0 4 0 1
L:L:?1 R:R:F117 2.92 1 Yes Yes 0 6 0 1
L:L:?1 R:R:F183 17.53 1 Yes Yes 0 6 0 1
L:L:?1 R:R:W194 22.77 1 Yes Yes 0 5 0 1
L:L:?1 R:R:M265 4.52 1 Yes No 0 6 0 1
L:L:?1 R:R:F281 6.82 1 Yes No 0 4 0 1
L:L:?1 R:R:S285 12.01 1 Yes No 0 5 0 1
L:L:?1 R:R:C288 2.54 1 Yes Yes 0 7 0 1
R:R:F94 R:R:M26 3.73 1 No Yes 3 6 1 2
R:R:H95 R:R:M26 3.94 1 Yes Yes 4 6 2 2
R:R:A83 R:R:F117 4.16 0 No Yes 8 6 2 1
R:R:V113 R:R:V86 3.21 0 No No 5 4 1 2
R:R:F87 R:R:S90 2.64 1 Yes No 6 4 1 2
R:R:F87 R:R:F91 10.72 1 Yes Yes 6 6 1 2
R:R:F87 R:R:S285 5.28 1 Yes No 6 5 1 1
R:R:F91 R:R:H95 9.05 0 Yes Yes 6 4 2 2
R:R:F94 R:R:H95 9.05 1 No Yes 3 4 1 2
R:R:F106 R:R:I110 10.05 0 No No 9 4 2 1
R:R:F106 R:R:P184 8.67 0 No No 9 5 2 2
R:R:S165 R:R:T114 3.2 0 No No 7 4 2 1
R:R:T114 R:R:W194 3.64 1 No Yes 4 5 1 1
R:R:F117 R:R:W258 5.01 1 Yes Yes 6 8 1 2
R:R:C288 R:R:F117 2.79 1 Yes Yes 7 6 1 1
R:R:T118 R:R:W194 2.43 0 No Yes 6 5 2 1
R:R:L167 R:R:P168 4.93 1 No No 5 5 2 2
R:R:L167 R:R:Y190 11.72 1 No Yes 5 7 2 1
R:R:P168 R:R:Y190 6.95 1 No Yes 5 7 2 1
R:R:F183 R:R:P184 4.33 0 Yes No 6 5 1 2
R:R:F183 R:R:I186 5.02 0 Yes No 6 5 1 2
R:R:F183 R:R:L191 2.44 0 Yes No 6 5 1 2
R:R:S193 R:R:Y190 3.82 0 No Yes 5 7 2 1
R:R:I198 R:R:W194 10.57 0 No Yes 7 5 2 1
R:R:M265 R:R:W194 5.82 1 No Yes 6 5 1 1
R:R:C288 R:R:W258 2.61 1 Yes Yes 7 8 1 2
R:R:C288 R:R:V261 5.12 1 Yes No 7 6 1 2
R:R:F281 R:R:L264 7.31 0 No No 4 4 1 2
L:L:?1 R:R:V113 2.38 1 Yes No 0 5 0 1
R:R:L195 R:R:W194 2.28 0 No Yes 4 5 2 1
L:L:?1 R:R:Y190 1.87 1 Yes Yes 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

PDB Summary
PDB 8X3L_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 2.42
Number of Linked Nodes 261
Number of Links 279
Number of Hubs 30
Number of Links mediated by Hubs 118
Number of Communities 6
Number of Nodes involved in Communities 35
Number of Links involved in Communities 47
Path Summary
Number Of Nodes in MetaPath 68
Number Of Links MetaPath 67
Number of Shortest Paths 48735
Length Of Smallest Path 3
Average Path Length 14.58
Length of Longest Path 36
Minimum Path Strength 1.18
Average Path Strength 4.8653
Maximum Path Strength 17.39
Minimum Path Correlation 0.7
Average Path Correlation 0.926452
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 3.57143
Average % Of Corr. Nodes 47.9347
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 37.3417
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 .
CodeXWD
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeXWD
Name4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one
Synonyms
Identifier
Formulan/a
Molecular Weight409.389
SMILES
PubChem172458163
Formal Charge0
Total Atoms47
Total Chiral Atoms1
Total Bonds51
Total Aromatic Bonds21

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP34972
Sequence
>8X3L_nogp_Chain_R
DYMILSGPQ KTAVAVLCT LLGLLSALE NVAVLYLIL SSHQLRRKP 
SYLFIGSLA GADFLASVV FACSFVNFH VFHGVDSKA VFLLKIGSV 
TMTFTASVG SLLLTAIDR YLCLRYPPS YKALLTRGR ALVTLGIMW 
VLSALVSYL PLMGWTCCP RPCSELFPL IPNDYLLSW LLFIAFLFS 
GIIYTYGHV LWKAHQHVA SLSGHQMRL DVRLAKTLG LVLAVLLIC 
WFPVLALMA HSLATTLSD QVKKAFAFC SMLCLINSM VNPVIYALR 
SGEIRSSAH HCLAHWKK


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




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Download 8X3L_nogp.zip



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