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 9.611821110
2R:R:T39 4.954517
3R:R:F70 4.542508
4R:R:F72 6.315408
5R:R:D78 8.6525439
6R:R:M86 6.08519
7R:R:Y89 9.792518
8R:R:W98 6.06649
9R:R:D112 7.135419
10R:R:Y113 11.816519
11R:R:D129 6.016529
12R:R:Y131 10.4825409
13R:R:Y140 9.72429
14R:R:R144 11.0125429
15R:R:W157 5.3825409
16R:R:W164 11.546518
17R:R:R178 5.6975405
18R:R:I187 7.1025407
19R:R:Q188 7.95408
20R:R:F189 6.782508
21R:R:F197 3.9075407
22R:R:F204 9.082509
23R:R:Y205 5.3275408
24R:R:L214 7.865408
25R:R:Y215 7.28167609
26R:R:W413 7.388509
27R:R:Y416 8.194519
28R:R:Y439 9.22417
29R:R:W440 7.0825419
30R:R:Y443 6.37519
31R:R:N445 9.1225409
32R:R:Y453 5.64167659
33R:R:F460 7.482509
34R:R:F464 5.6275409
35W:W:?1 8.528500
   

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:D112 14.76598.21YesYes109
2R:R:D112 R:R:Y443 15.48575.75YesYes199
3R:R:W440 R:R:Y443 10.49034.82YesYes199
4R:R:T39 R:R:W440 13.34157.28YesYes179
5L:L:?1 R:R:Y439 28.35597.09YesYes107
6R:R:Y439 R:R:Y443 13.66694.96YesYes179
7R:R:Y439 R:R:Y89 15.618915.89YesYes178
8R:R:M86 R:R:Y443 16.75898.38YesYes199
9L:L:?1 R:R:W413 88.259613.01YesYes009
10R:R:N445 R:R:W413 95.47086.78YesYes099
11R:R:N445 R:R:N449 96.400812.26YesNo099
12R:R:L74 R:R:N449 95.51448.24NoNo399
13R:R:L123 R:R:L74 99.76695.54NoNo099
14R:R:L123 R:R:Y453 1009.38NoYes099
15R:R:R130 R:R:Y453 50.14356.17NoYes599
16R:R:R130 R:R:Y215 50.42018.23NoYes099
17R:R:S127 R:R:Y215 94.799710.17NoYes099
18R:R:L214 R:R:S127 93.67256.01YesNo089
19R:R:L214 R:R:Y131 88.32114.07YesYes089
20R:R:F132 R:R:Y131 80.57436.19NoYes079
21R:R:F132 R:R:Y140 79.895513.41NoYes079
22R:R:D129 R:R:Y140 47.86866.9YesYes299
23R:R:D129 R:R:N67 30.66145.39YesNo299
24R:R:N67 R:R:T65 58.26165.85NoNo098
25R:R:N68 R:R:T65 56.44798.77NoNo098
26R:R:F460 R:R:N68 54.62653.62YesNo099
27R:R:F460 R:R:L63 30.774217.05YesNo099
28R:R:L63 R:R:N60 25.14096.87NoNo098
29R:R:N60 R:R:T463 21.3298.77NoNo089
30R:R:S56 R:R:T463 19.41546.4NoNo099
31R:R:F464 R:R:S56 17.49673.96YesNo099
32R:R:I405 R:R:Y453 50.317.25NoYes099
33R:R:I405 R:R:Y215 50.25874.84NoYes099
34R:R:R144 R:R:Y140 30.651214.4YesYes299
35R:R:N67 R:R:R144 29.119310.85NoYes299
36R:R:F460 R:R:I57 15.52933.77YesNo099
37R:R:F72 R:R:I57 13.60038.79YesNo089
38R:R:D129 R:R:F70 18.78784.78YesYes098
39R:R:F70 R:R:I153 13.28525.02YesNo089
40R:R:I153 R:R:S73 10.29566.19NoNo099
41L:L:?1 R:R:Y113 32.544322.06YesYes109
42R:R:I187 R:R:Y113 36.955610.88YesYes079
43R:R:I187 R:R:L109 14.1925.71YesNo078
44R:R:Y89 W:W:?1 10.50316.3YesYes080
45R:R:C185 R:R:L109 11.48174.76NoNo098
46R:R:F189 R:R:I187 23.03777.54YesYes087
47R:R:F189 R:R:W171 16.397712.03YesNo087
48R:R:Q188 R:R:W171 14.368813.14YesNo087
49L:L:?1 R:R:W164 11.427912.25YesYes108
50R:R:F204 R:R:W413 15.75215.01YesYes099
51R:R:F204 R:R:Y205 12.03510.32YesYes098
52L:L:?1 R:R:Y416 10.62114.97YesYes109
53R:R:W435 R:R:Y416 12.50385.79NoYes069
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:D112 8.21 1 Yes Yes 0 9 0 1
L:L:?1 R:R:Y113 22.06 1 Yes Yes 0 9 0 1
L:L:?1 R:R:S116 9.08 1 Yes No 0 8 0 1
L:L:?1 R:R:W164 12.25 1 Yes Yes 0 8 0 1
L:L:?1 R:R:W413 13.01 1 Yes Yes 0 9 0 1
L:L:?1 R:R:Y416 14.97 1 Yes Yes 0 9 0 1
L:L:?1 R:R:N417 5.54 1 Yes No 0 9 0 1
L:L:?1 R:R:V420 5.01 1 Yes No 0 8 0 1
L:L:?1 R:R:Y439 7.09 1 Yes Yes 0 7 0 1
L:L:?1 R:R:C442 5.33 1 Yes No 0 9 0 1
R:R:I81 R:R:S116 4.64 0 No No 9 8 2 1
R:R:D112 R:R:S85 8.83 1 Yes No 9 9 1 2
R:R:Y439 R:R:Y89 15.89 1 Yes Yes 7 8 1 2
R:R:Y443 R:R:Y89 7.94 1 Yes Yes 9 8 2 2
R:R:D112 R:R:Y113 5.75 1 Yes Yes 9 9 1 1
R:R:D112 R:R:Y443 5.75 1 Yes Yes 9 9 1 2
R:R:W164 R:R:Y113 15.43 1 Yes Yes 8 9 1 1
R:R:I187 R:R:Y113 10.88 0 Yes Yes 7 9 2 1
R:R:Y113 R:R:Y416 4.96 1 Yes Yes 9 9 1 1
R:R:N117 R:R:W164 10.17 0 No Yes 9 8 2 1
R:R:V120 R:R:W413 6.13 0 No Yes 9 9 2 1
R:R:L163 R:R:W164 11.39 0 No Yes 8 8 2 1
R:R:T199 R:R:W164 8.49 0 No Yes 9 8 2 1
R:R:F204 R:R:W413 5.01 0 Yes Yes 9 9 2 1
R:R:F204 R:R:N417 15.71 0 Yes No 9 9 2 1
R:R:F409 R:R:W413 6.01 0 No Yes 9 9 2 1
R:R:N445 R:R:W413 6.78 0 Yes Yes 9 9 2 1
R:R:V420 R:R:Y416 6.31 1 No Yes 8 9 1 1
R:R:W435 R:R:Y416 5.79 0 No Yes 6 9 2 1
R:R:Y416 R:R:Y439 8.94 1 Yes Yes 9 7 1 1
R:R:Y439 R:R:Y443 4.96 1 Yes Yes 7 9 1 2
L:L:?1 R:R:A203 3.18 1 Yes No 0 9 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:I93 R:R:Y89 7.25 0 No Yes 7 8 2 1
R:R:Y439 R:R:Y89 15.89 1 Yes Yes 7 8 2 1
R:R:W440 R:R:Y89 11.58 1 Yes Yes 9 8 2 1
R:R:Y443 R:R:Y89 7.94 1 Yes Yes 9 8 2 1
R:R:Y89 W:W:?1 6.3 1 Yes Yes 8 0 1 0
R:R:Q184 R:R:Y92 6.76 0 No No 5 8 1 2
R:R:Q184 W:W:?1 7.16 0 No Yes 5 0 1 0
R:R:D432 W:W:?1 19.15 0 No Yes 3 0 1 0
R:R:S436 W:W:?1 7.06 0 No Yes 6 0 1 0
R:R:Y439 R:R:Y443 4.96 1 Yes Yes 7 9 2 2
R:R:W440 R:R:Y443 4.82 1 Yes Yes 9 9 2 2
R:R:I437 R:R:S436 3.1 0 No No 5 6 2 1
R:R:T433 W:W:?1 2.97 0 No Yes 4 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 8FX5_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 4.59
Number of Linked Nodes 243
Number of Links 256
Number of Hubs 35
Number of Links mediated by Hubs 136
Number of Communities 5
Number of Nodes involved in Communities 27
Number of Links involved in Communities 37
Path Summary
Number Of Nodes in MetaPath 54
Number Of Links MetaPath 53
Number of Shortest Paths 58372
Length Of Smallest Path 3
Average Path Length 18.1465
Length of Longest Path 38
Minimum Path Strength 1.38
Average Path Strength 8.17699
Maximum Path Strength 17.535
Minimum Path Correlation 0.7
Average Path Correlation 0.923841
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 3.125
Average % Of Corr. Nodes 39.6382
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 49.3479
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier• Transducin (heterotrimeric G protein), gamma chain   • G protein-coupled receptor-like
SCOP2Family Identifier• Transducin (heterotrimeric G protein), gamma chain   • 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 .
CodeXNO
PDB ResiduesL:L:?1 W:W:?1
Environment DetailsOpen EMBL-EBI Page
CodeXNO
NameXanomeline
Synonyms(5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine
Identifier
FormulaC14 H23 N3 O S
Molecular Weight281.417
SMILES
PubChem60809
Formal Charge0
Total Atoms42
Total Chiral Atoms0
Total Bonds43
Total Aromatic Bonds5

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP08173
Sequence
>8FX5_nogp_Chain_R
MVFIATVTG SLSLVTVVG NILVMLSIK VNRQLQTVN NYFLFSLAC 
ADLIIGAFS MNLYTVYII KGYWPLGAV VCDLWLALD YVVSNASVM 
NLLIISFDR YFCVTKPLT YPARRTTKM AGLMIAAAW VLSFVLWAP 
AILFWQFVV GKRTVPDNQ CFIQFLSNP AVTFGTAIA AFYLPVVIM 
TVLYIHISL ASRSRVAAR ERKVTRTIF AILLAFILT WTPYNVMVL 
VNTFCQSCI PDTVWSIGY WLCYVNSTI NPACYALCN ATFKKTFRH 
L


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
7UM4AAmine5-Hydroxytryptamine5-HT5AHomo sapiensAS2674723--2.82022-07-20doi.org/10.1038/s41594-022-00796-6
8FX5AAmineAcetylcholine (muscarinic)M4Homo sapiensXanomelineXanomelineGi1/β1/γ22.452023-09-13doi.org/10.1038/s41467-023-41199-5
8FX5 (No Gprot) AAmineAcetylcholine (muscarinic)M4Homo sapiensXanomelineXanomeline2.452023-09-13doi.org/10.1038/s41467-023-41199-5
7TRQAAmineAcetylcholine (muscarinic)M4Homo sapiensIperoxoVU0467154Gi1/β1/γ22.52023-05-17doi.org/10.2139/ssrn.4034884
7TRQ (No Gprot) AAmineAcetylcholine (muscarinic)M4Homo sapiensIperoxoVU04671542.52023-05-17doi.org/10.2139/ssrn.4034884
7V6AAAmineAcetylcholine (muscarinic)M4Homo sapiens-PubChem 9864275Gi1/β1/γ23.62022-05-11doi.org/10.1038/s41467-022-30595-y
7V6A (No Gprot) AAmineAcetylcholine (muscarinic)M4Homo sapiens-PubChem 98642753.62022-05-11doi.org/10.1038/s41467-022-30595-y
7V68AAmineAcetylcholine (muscarinic)M4Homo sapiensIperoxoLY2119620Gi1/β1/γ23.42022-05-11doi.org/10.1038/s41467-022-30595-y
7V68 (No Gprot) AAmineAcetylcholine (muscarinic)M4Homo sapiensIperoxoLY21196203.42022-05-11doi.org/10.1038/s41467-022-30595-y
7TRPAAmineAcetylcholine (muscarinic)M4Homo sapiensIperoxoLY2033298Gi1/β1/γ22.42023-05-17doi.org/10.2139/ssrn.4034884
7TRP (No Gprot) AAmineAcetylcholine (muscarinic)M4Homo sapiensIperoxoLY20332982.42023-05-17doi.org/10.2139/ssrn.4034884
5DSGAAmineAcetylcholine (muscarinic)M4Homo sapiensTiotropium--2.62016-03-16doi.org/10.1038/nature17188
7V69AAmineAcetylcholine (muscarinic)M4Homo sapiens--Gi1/β1/γ23.42022-05-11doi.org/10.1038/s41467-022-30595-y
7V69 (No Gprot) AAmineAcetylcholine (muscarinic)M4Homo sapiens--3.42022-05-11doi.org/10.1038/s41467-022-30595-y
8E9XAAmineAcetylcholine (muscarinic)M4Homo sapiens2-Deoxycytidine-chim(NtGi1-Go)/β1/γ22.72022-11-30doi.org/10.1038/s41586-022-05489-0
8E9X (No Gprot) AAmineAcetylcholine (muscarinic)M4Homo sapiens2-Deoxycytidine-2.72022-11-30doi.org/10.1038/s41586-022-05489-0
6KP6AAmineAcetylcholine (muscarinic)M4Homo sapiens---32020-03-11doi.org/10.1107/S2052252520000597
7TRKAAmineAcetylcholine (muscarinic)M4Homo sapiensIperoxo-Gi1/β1/γ22.82023-05-17doi.org/10.2139/ssrn.4034884
7TRK (No Gprot) AAmineAcetylcholine (muscarinic)M4Homo sapiensIperoxo-2.82023-05-17doi.org/10.2139/ssrn.4034884
7TRSAAmineAcetylcholine (muscarinic)M4Homo sapiensAcetylcholine-Gi1/β1/γ22.82023-05-17doi.org/10.2139/ssrn.4034884
7TRS (No Gprot) AAmineAcetylcholine (muscarinic)M4Homo sapiensAcetylcholine-2.82023-05-17doi.org/10.2139/ssrn.4034884
5NM4ANucleotideAdenosineA2AHomo sapiensZM-241385Na-1.72017-09-27doi.org/10.1038/s41467-017-00630-4
5OM4ANucleotideAdenosineA2AHomo sapiensPubChem 135566609Na-22018-01-17doi.org/10.1038/s41598-017-18570-w
9M4QAAmineAdrenegicAlpha1AHomo sapiensDoxazosin--2.992025-07-02doi.org/10.1016/j.jbc.2025.110348
9M4TAAmineAdrenegicAlpha1AHomo sapiensSilodosin--3.192025-07-02doi.org/10.1016/j.jbc.2025.110348
6CM4AAmineDopamineD2Homo sapiensRisperidone--2.872018-03-14doi.org/10.1038/nature25758
9IQSAAmineAcetylcholine (muscarinic)M4Homo sapiens-Muscarinic toxin 3-3.62025-07-23To be published




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 8FX5_nogp.zip



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