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 8.34875810
2R:R:M45 4.145407
3R:R:S47 2.24409
4R:R:L54 6.774529
5R:R:N59 5.6175429
6R:R:F61 5.26667638
7R:R:I72 5.015408
8R:R:Y80 6.166518
9R:R:T84 4.1275417
10R:R:W89 7.33143749
11R:R:Y104 6.59167618
12R:R:Y122 7.812509
13R:R:Y131 11.49409
14R:R:R135 10.045438
15R:R:W155 5.82714718
16R:R:W162 7.808506
17R:R:Y177 12.7775414
18R:R:F180 6.406507
19R:R:F181 7.335415
20R:R:F188 4.245457
21R:R:Y206 7.66509
22R:R:E382 3.694569
23R:R:W400 6.184519
24R:R:Y403 7.02518
25R:R:W422 23.8425416
26R:R:Y426 6.80833617
27R:R:L428 3.435408
28R:R:Y430 8.50833619
29R:R:Y440 6.7775409
30R:R:F447 7.662529
31W:W:?1 17.1922910
   

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:Y426 33.49564.03YesYes107
2L:L:?1 R:R:Y104 42.27516.05YesYes108
3R:R:W155 R:R:Y104 35.87927.72YesYes188
4R:R:N108 R:R:W155 23.41210.17NoYes198
5R:R:N108 R:R:S151 22.25764.47NoNo099
6R:R:A109 R:R:S151 20.95973.42NoNo089
7R:R:A109 R:R:W148 19.64937.78NoNo089
8R:R:A68 R:R:W148 18.32652.59NoNo099
9R:R:A68 R:R:C67 16.99111.81NoNo097
10R:R:C67 R:R:M45 15.64333.24NoYes077
11L:L:?1 R:R:W400 35.36138.82YesYes109
12R:R:T399 R:R:W400 15.91793.64NoYes199
13R:R:L428 R:R:T399 14.5955.9YesNo089
14L:L:?1 R:R:S107 71.22812.91YesNo008
15R:R:I72 R:R:S107 70.81624.64YesNo088
16R:R:I72 R:R:S433 1004.64YesNo089
17R:R:D69 R:R:S433 99.25754.42NoNo099
18R:R:D69 R:R:N41 98.502416.16NoNo099
19R:R:N41 R:R:P437 97.73494.89NoNo099
20R:R:N436 R:R:P437 96.95496.52NoNo099
21R:R:L65 R:R:N436 96.16258.24NoNo099
22R:R:L65 R:R:N113 94.54015.49NoNo099
23R:R:N113 R:R:S64 93.71027.45NoNo099
24R:R:I144 R:R:S64 92.86783.1NoNo099
25R:R:F61 R:R:I144 91.14563.77YesNo089
26R:R:D120 R:R:F61 39.123910.75NoYes398
27R:R:D120 R:R:N58 43.81016.73NoNo099
28R:R:N58 R:R:T56 42.43734.39NoNo098
29R:R:N59 R:R:T56 41.02084.39YesNo098
30R:R:F447 R:R:N59 36.55319.67YesYes299
31R:R:F447 R:R:L54 29.30248.53YesYes299
32R:R:L54 R:R:T450 23.14365.9YesNo298
33R:R:S47 R:R:T450 21.65233.2YesNo098
34R:R:F451 R:R:S47 13.56552.64NoYes099
35R:R:F61 R:R:R135 44.54014.28YesYes388
36R:R:S76 R:R:Y430 33.51436.36NoYes189
37R:R:Y426 W:W:?1 64.24566.03YesYes170
38R:R:Y83 W:W:?1 33.19614.31NoYes070
39R:R:W89 R:R:Y83 26.23248.68YesNo097
40R:R:I178 R:R:Y104 24.87837.25NoYes078
41R:R:V111 R:R:W400 11.77464.9NoYes099
42R:R:R135 R:R:Y131 47.940818.52YesYes089
43R:R:F123 R:R:Y131 43.803816.5NoYes069
44R:R:F123 R:R:Y122 42.39985.16NoYes069
45R:R:L205 R:R:Y122 23.01265.86NoYes089
46R:R:L205 R:R:S118 19.84286.01NoNo089
47R:R:S118 R:R:Y206 18.23918.9NoYes099
48R:R:F180 R:R:I178 23.76147.54YesNo077
49R:R:F180 R:R:W162 11.506310.02YesYes076
50R:R:Y177 W:W:?1 11.543723.27YesYes140
51R:R:V171 R:R:Y177 10.476711.36NoYes044
52R:R:W422 W:W:?1 17.234578.71YesYes160
53R:R:Y426 R:R:Y430 27.40558.94YesYes179
54R:R:I72 R:R:S76 33.38334.64YesNo088
55R:R:Y104 R:R:Y426 15.38138.94YesYes187
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:D103 4.67 1 Yes No 0 9 0 1
L:L:?1 R:R:Y104 6.05 1 Yes Yes 0 8 0 1
L:L:?1 R:R:S107 12.91 1 Yes No 0 8 0 1
L:L:?1 R:R:W400 8.82 1 Yes Yes 0 9 0 1
L:L:?1 R:R:Y403 13.11 1 Yes Yes 0 8 0 1
L:L:?1 R:R:Y426 4.03 1 Yes Yes 0 7 0 1
L:L:?1 R:R:C429 4.09 1 Yes No 0 8 0 1
L:L:?1 R:R:Y430 13.11 1 Yes Yes 0 9 0 1
R:R:I72 R:R:S76 4.64 0 Yes No 8 8 2 2
R:R:I72 R:R:S107 4.64 0 Yes No 8 8 2 1
R:R:D103 R:R:S76 10.31 1 No No 9 8 1 2
R:R:S76 R:R:Y430 6.36 1 No Yes 8 9 2 1
R:R:M77 R:R:Y430 9.58 0 No Yes 9 9 2 1
R:R:Y426 R:R:Y80 5.96 1 Yes Yes 7 8 1 2
R:R:W427 R:R:Y80 6.75 1 No Yes 9 8 2 2
R:R:Y80 W:W:?1 6.89 1 Yes Yes 8 0 2 2
R:R:D103 R:R:Y430 9.2 1 No Yes 9 9 1 1
R:R:W155 R:R:Y104 7.72 1 Yes Yes 8 8 2 1
R:R:I159 R:R:Y104 3.63 1 No Yes 8 8 2 1
R:R:I178 R:R:Y104 7.25 0 No Yes 7 8 2 1
R:R:Y104 R:R:Y403 5.96 1 Yes Yes 8 8 1 1
R:R:Y104 R:R:Y426 8.94 1 Yes Yes 8 7 1 1
R:R:V111 R:R:W400 4.9 0 No Yes 9 9 2 1
R:R:I159 R:R:W155 5.87 1 No Yes 8 8 2 2
R:R:T399 R:R:W400 3.64 1 No Yes 9 9 2 1
R:R:N432 R:R:T399 11.7 1 No No 9 9 2 2
R:R:N404 R:R:W400 4.52 1 No Yes 7 9 2 1
R:R:N432 R:R:W400 9.04 1 No Yes 9 9 2 1
R:R:V407 R:R:Y403 5.05 0 No Yes 8 8 2 1
R:R:Y403 R:R:Y426 6.95 1 Yes Yes 8 7 1 1
R:R:C429 R:R:Y403 4.03 1 No Yes 8 8 1 1
R:R:Y426 R:R:Y430 8.94 1 Yes Yes 7 9 1 1
R:R:Y426 W:W:?1 6.03 1 Yes Yes 7 0 1 2
R:R:W427 R:R:Y430 3.86 1 No Yes 9 9 2 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
L:L:?1 R:R:Y104 6.05 1 Yes Yes 0 8 2 2
L:L:?1 R:R:Y403 13.11 1 Yes Yes 0 8 2 2
L:L:?1 R:R:Y426 4.03 1 Yes Yes 0 7 2 1
L:L:?1 R:R:Y430 13.11 1 Yes Yes 0 9 2 2
R:R:T84 R:R:Y80 4.99 1 Yes Yes 7 8 2 1
R:R:T423 R:R:Y80 6.24 1 No Yes 6 8 1 1
R:R:Y426 R:R:Y80 5.96 1 Yes Yes 7 8 1 1
R:R:W427 R:R:Y80 6.75 1 No Yes 9 8 2 1
R:R:Y80 W:W:?1 6.89 1 Yes Yes 8 0 1 0
R:R:W89 R:R:Y83 8.68 4 Yes No 9 7 2 1
R:R:Y83 W:W:?1 4.31 0 No Yes 7 0 1 0
R:R:T84 R:R:W427 3.64 1 Yes No 7 9 2 2
R:R:Y104 R:R:Y403 5.96 1 Yes Yes 8 8 2 2
R:R:Y104 R:R:Y426 8.94 1 Yes Yes 8 7 2 1
R:R:F181 R:R:T170 3.89 1 Yes No 5 5 1 2
R:R:V171 R:R:Y177 11.36 0 No Yes 4 4 2 1
R:R:E172 R:R:E175 5.07 0 No No 1 5 2 1
R:R:E175 R:R:Y177 12.35 1 No Yes 5 4 1 1
R:R:E175 W:W:?1 5.85 1 No Yes 5 0 1 0
R:R:F181 R:R:Y177 4.13 1 Yes Yes 5 4 1 1
R:R:Y177 W:W:?1 23.27 1 Yes Yes 4 0 1 0
R:R:F181 R:R:S182 10.57 1 Yes No 5 6 1 2
R:R:F181 W:W:?1 10.75 1 Yes Yes 5 0 1 0
R:R:Y403 R:R:Y426 6.95 1 Yes Yes 8 7 2 1
R:R:N410 W:W:?1 8.08 0 No Yes 4 0 1 0
R:R:I417 R:R:P418 5.08 1 No No 7 7 2 2
R:R:I417 R:R:W422 3.52 1 No Yes 7 6 2 1
R:R:P418 R:R:W422 10.81 1 No Yes 7 6 2 1
R:R:W422 W:W:?1 78.71 1 Yes Yes 6 0 1 0
R:R:T423 W:W:?1 10.84 1 No Yes 6 0 1 0
R:R:Y426 R:R:Y430 8.94 1 Yes Yes 7 9 1 2
R:R:Y426 W:W:?1 6.03 1 Yes Yes 7 0 1 0
R:R:W427 R:R:Y430 3.86 1 No Yes 9 9 2 2
R:R:M406 R:R:W422 2.33 0 No Yes 7 6 2 1
R:R:G87 R:R:Y83 1.45 0 No No 6 7 2 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 7T96_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 3.1
Number of Linked Nodes 248
Number of Links 270
Number of Hubs 31
Number of Links mediated by Hubs 134
Number of Communities 6
Number of Nodes involved in Communities 50
Number of Links involved in Communities 69
Path Summary
Number Of Nodes in MetaPath 56
Number Of Links MetaPath 55
Number of Shortest Paths 31155
Length Of Smallest Path 3
Average Path Length 16.0142
Length of Longest Path 38
Minimum Path Strength 1.32
Average Path Strength 7.12597
Maximum Path Strength 50.99
Minimum Path Correlation 0.7
Average Path Correlation 0.935383
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 3.0303
Average % Of Corr. Nodes 54.6873
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 37.7413
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 .
CodeACH
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeACH
NameAcetylcholine
Synonyms
  • Acetylcholine chloride
  • Acetylcholine
  • ACh
  • O-Acetylcholine
  • Choline acetate
Identifier
FormulaC7 H16 N O2
Molecular Weight146.207
SMILES
PubChem187
Formal Charge1
Total Atoms26
Total Chiral Atoms0
Total Bonds25
Total Aromatic Bonds0

Code2CU
PDB ResiduesW:W:?1
Environment DetailsOpen EMBL-EBI Page
Code2CU
Name3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
SynonymsLY2119620 positive allosteric modulator of M2/M4 receptor
Identifier
FormulaC19 H24 Cl N5 O3 S
Molecular Weight437.944
SMILES
PubChem57664406
Formal Charge0
Total Atoms53
Total Chiral Atoms0
Total Bonds56
Total Aromatic Bonds10

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP08172
Sequence
>7T96_nogp_Chain_R
EVVFIVLVA GSLSLVTII GNILVMVSI KVNRHLQTV NNYFLFSLA 
CADLIIGVF SMNLYTLYT VIGYWPLGP VVCDLWLAL DYVVSNASV 
MNLLIISFD RYFCVTKPL TYPVKRTTK MAGMMIAAA WVLSFILWA 
PAILFWQFI VGVRTVEDG ECYIQFFSN AAVTFGTAI AAFYLPVII 
MTVLYWHIS RASKSRIKP PSREKKVTR TILAILLAF IITWAPYNV 
MVLINTPCI PNTVWTIGY WLCYINSTI NPACYALCN ATFKKTFKH 
LLMC


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
3UONAAmineAcetylcholine (muscarinic)M2Homo sapiens3-quinuclidinyl-benzilate--32012-02-01doi.org/10.1038/nature10753
4MQSAAmineAcetylcholine (muscarinic)M2Homo sapiensIperoxo--3.52013-11-27doi.org/10.1038/nature12735
4MQTAAmineAcetylcholine (muscarinic)M2Homo sapiensIperoxoLY2119620-3.72013-11-27doi.org/10.1038/nature12735
5NM2ANucleotideAdenosineA2AHomo sapiensZM-241385Na-1.952017-09-27doi.org/10.1038/s41467-017-00630-4
5YC8AAmineAcetylcholine (muscarinic)M2Homo sapiensN-methyl-Scopolamine--2.52018-11-21doi.org/10.1038/s41589-018-0152-y
5ZK3AAmineAcetylcholine (muscarinic)M2Homo sapiens3-quinuclidinyl-benzilate--2.62018-11-21doi.org/10.1038/s41589-018-0152-y
5ZK8AAmineAcetylcholine (muscarinic)M2Homo sapiensN-methyl-Scopolamine--32018-11-21doi.org/10.1038/s41589-018-0152-y
5ZKBAAmineAcetylcholine (muscarinic)M2Homo sapiensAF-DX 384--2.952018-11-21doi.org/10.1038/s41589-018-0152-y
5ZKCAAmineAcetylcholine (muscarinic)M2Homo sapiensN-methyl-Scopolamine--2.32018-11-21doi.org/10.1038/s41589-018-0152-y
6OIKAAmineAcetylcholine (muscarinic)M2Homo sapiensIperoxoLY2119620chim(NtGi1-Go)/β1/γ23.62019-05-08doi.org/10.1126/science.aaw5188
6OIK (No Gprot) AAmineAcetylcholine (muscarinic)M2Homo sapiensIperoxoLY21196203.62019-05-08doi.org/10.1126/science.aaw5188
6U1NAAmineAcetylcholine (muscarinic)M2Homo sapiens-LY2119620Arrestin242020-02-26doi.org/10.1038/s41586-020-1954-0
6UUSB1PeptideCalcitoninCT Like (AM2)Homo sapiensAdrenomedullin-Gs/β1/γ2; RAMP32.42020-04-01doi.org/10.1021/acsptsci.9b00080
6UUS (No Gprot) B1PeptideCalcitoninCT Like (AM2)Homo sapiensAdrenomedullin-2.42020-04-01doi.org/10.1021/acsptsci.9b00080
6UVAB1PeptideCalcitoninCT Like (AM2)Homo sapiensAdrenomedullin-2-Gs/β1/γ2; RAMP32.32020-04-01doi.org/10.1021/acsptsci.9b00080
6UVA (No Gprot) B1PeptideCalcitoninCT Like (AM2)Homo sapiensAdrenomedullin-2-2.32020-04-01doi.org/10.1021/acsptsci.9b00080
7SBFAPeptideOpioidμMus musculusPZM21-Gi1/β1/γ22.92022-04-20doi.org/10.1002/anie.202200269
7SBF (No Gprot) APeptideOpioidμMus musculusPZM21-2.92022-04-20doi.org/10.1002/anie.202200269
7T9NAProteinGlycoprotein HormoneTSHHomo sapiensM22 FabDPPCGs/β1/γ22.92022-08-03doi.org/10.1038/s41586-022-05159-1
7T9N (No Gprot) AProteinGlycoprotein HormoneTSHHomo sapiensM22 FabDPPC2.92022-08-03doi.org/10.1038/s41586-022-05159-1
7XW6AProteinGlycoprotein HormoneTSHHomo sapiensM22 FabML109Gs/β1/γ22.782022-08-17doi.org/10.1038/s41586-022-05173-3
7XW6 (No Gprot) AProteinGlycoprotein HormoneTSHHomo sapiensM22 FabML1092.782022-08-17doi.org/10.1038/s41586-022-05173-3
8EFOAPeptideOpioidμHomo sapiensPZM21-Gi1/β1/γ22.82022-11-09doi.org/10.1016/j.cell.2022.09.041
8EFO (No Gprot) APeptideOpioidμHomo sapiensPZM21-2.82022-11-09doi.org/10.1016/j.cell.2022.09.041
7T8XAAmineAcetylcholine (muscarinic)M2Homo sapiensAcetylcholine-chim(NtGi1-Go)/β1/γ23.212023-01-25doi.org/10.1038/s41467-022-35726-z
7T8X (No Gprot) AAmineAcetylcholine (muscarinic)M2Homo sapiensAcetylcholine-3.212023-01-25doi.org/10.1038/s41467-022-35726-z
7T90AAmineAcetylcholine (muscarinic)M2Homo sapiensAcetylcholine-chim(NtGi1-Go)/β1/γ23.322023-01-25doi.org/10.1038/s41467-022-35726-z
7T90 (No Gprot) AAmineAcetylcholine (muscarinic)M2Homo sapiensAcetylcholine-3.322023-01-25doi.org/10.1038/s41467-022-35726-z
7T94AAmineAcetylcholine (muscarinic)M2Homo sapiensAcetylcholineLY2119620chim(NtGi1-Go)/β1/γ23.162023-01-25doi.org/10.1038/s41467-022-35726-z
7T94 (No Gprot) AAmineAcetylcholine (muscarinic)M2Homo sapiensAcetylcholineLY21196203.162023-01-25doi.org/10.1038/s41467-022-35726-z
7Y66APeptideComplement PeptideC5a1Homo sapiensBM213-Gi1/β1/γ22.92023-03-01doi.org/10.1038/s41422-023-00779-2
7Y66 (No Gprot) APeptideComplement PeptideC5a1Homo sapiensBM213-2.92023-03-01doi.org/10.1038/s41422-023-00779-2
8ZX5ALipidGPR55GPR55Homo sapiensAM251-chim(NtGi1-G13)/β1/γ22.852024-11-13doi.org/10.1038/s41422-024-01044-w
8ZX5 (No Gprot) ALipidGPR55GPR55Homo sapiensAM251-2.852024-11-13doi.org/10.1038/s41422-024-01044-w
9PEEAProteinChemokineCCR6Homo sapiens-PF-07054894; OXM2-3.352025-10-01doi.org/10.1021/acs.jmedchem.5c01946
7T96AAmineAcetylcholine (muscarinic)M2Homo sapiensAcetylcholineLY2119620Go/β1/γ23.222023-01-25doi.org/10.1038/s41467-022-35726-z
7T96 (No Gprot) AAmineAcetylcholine (muscarinic)M2Homo sapiensAcetylcholineLY21196203.222023-01-25doi.org/10.1038/s41467-022-35726-z
8PM2AAmineTrace AmineTA7Mus musculusDMCHA-Gs/β1/γ22.922023-08-09doi.org/10.1101/2023.07.07.547762
8PM2 (No Gprot) AAmineTrace AmineTA7Mus musculusDMCHA-2.922023-08-09doi.org/10.1101/2023.07.07.547762
9M2FAPeptideNeuropeptide FFNPFF1Homo sapiensNeuropeptide-FF-Gi1/β1/γ22.932025-07-23doi.org/10.1016/j.celrep.2025.116160
9M2F (No Gprot) APeptideNeuropeptide FFNPFF1Homo sapiensNeuropeptide-FF-2.932025-07-23doi.org/10.1016/j.celrep.2025.116160




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