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 8.954171210
2R:R:N52 8.825409
3R:R:L65 7.45408
4R:R:F72 7.9525408
5R:R:L76 6.035419
6R:R:D80 9.0975409
7R:R:V87 4.455408
8R:R:F91 9.596518
9R:R:W101 7.66428
10R:R:L107 4.2475424
11R:R:T120 6.5575418
12R:R:F124 5.235417
13R:R:L126 5.2275419
14R:R:F134 5.33408
15R:R:Y143 7.095458
16R:R:Q152 4.02448
17R:R:W160 4.6825409
18R:R:R180 3.385403
19R:R:Y192 6.27286708
20R:R:F201 10.45519
21R:R:M208 6.0525418
22R:R:Y212 6.945619
23R:R:F355 5.892519
24R:R:W359 7.85571719
25R:R:F362 12.0775418
26R:R:F363 10.974518
27R:R:H366 10.76417
28R:R:Y390 9.338518
29R:R:N396 8.865419
30R:R:Y400 5.20857719
31R:R:F407 8.35833638
32R:R:F411 4.575438
   

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:Y390 28.362412.19YesYes108
2R:R:L88 R:R:Y390 24.40548.21NoYes088
3R:R:I45 R:R:L88 21.1265.71NoNo078
4R:R:I45 R:R:V92 17.65073.07NoNo078
5L:L:?1 R:R:C119 53.86485.16YesNo008
6R:R:C119 R:R:W359 54.25423.92NoYes089
7R:R:N392 R:R:W359 63.827415.82NoYes199
8R:R:N392 R:R:N396 63.822812.26NoYes199
9R:R:D80 R:R:N396 16.75196.73YesYes099
10L:L:?1 R:R:F363 84.743710.29YesYes108
11R:R:F363 R:R:W359 68.45045.01YesYes189
12R:R:F355 R:R:W359 60.71864.01YesYes199
13R:R:F355 R:R:M208 98.22328.71YesYes198
14R:R:L126 R:R:M208 43.84454.24YesYes198
15R:R:L126 R:R:Y400 65.18487.03YesYes199
16R:R:I129 R:R:Y400 70.37018.46NoYes199
17R:R:F72 R:R:I129 1003.77YesNo089
18R:R:D132 R:R:F72 89.196211.94NoYes098
19R:R:D132 R:R:Y143 83.402510.34NoYes598
20R:R:V135 R:R:Y143 77.71253.79NoYes058
21R:R:R151 R:R:V135 74.82026.54NoNo085
22R:R:Q152 R:R:R151 72.37283.5YesNo088
23R:R:P68 R:R:Q152 60.67256.32NoYes478
24R:R:P68 R:R:T67 57.86553.5NoNo078
25R:R:N70 R:R:T67 54.95028.77NoNo098
26R:R:F407 R:R:N70 52.02117.25YesNo089
27R:R:F201 R:R:F363 39.426621.43YesYes198
28R:R:F201 R:R:F355 40.09737.5YesYes199
29R:R:L126 R:R:N396 28.97775.49YesYes199
30R:R:L76 R:R:N396 32.674210.98YesYes199
31R:R:L76 R:R:Y400 26.7863.52YesYes199
32R:R:M208 R:R:Y212 40.45683.59YesYes189
33R:R:R133 R:R:Y212 34.08928.23NoYes199
34R:R:I129 R:R:R133 32.42536.26NoNo199
35R:R:F407 R:R:V59 11.96762.62YesNo088
36R:R:F407 R:R:L65 23.891513.4YesYes088
37R:R:E406 R:R:L65 11.96993.98NoYes078
38L:L:?1 R:R:D115 39.631719.41YesNo109
39R:R:D115 R:R:V87 39.59265.84NoYes098
40R:R:L111 R:R:V87 36.76254.47NoYes078
41R:R:L111 R:R:L90 35.30376.92NoNo076
42R:R:L107 R:R:L90 33.63754.15YesNo046
43R:R:L107 R:R:S104 25.26273YesNo047
44R:R:R106 R:R:S104 21.87961.32NoNo047
45R:R:D109 R:R:R106 16.961711.91NoNo074
46L:L:?1 R:R:V116 20.93249.68YesNo009
47R:R:V116 R:R:Y192 14.40823.79NoYes098
48L:L:?1 R:R:S196 16.0565.86YesNo009
49R:R:S196 R:R:Y192 14.516513.99NoYes098
50L:L:?1 R:R:S200 18.50343.9YesNo108
51R:R:S200 R:R:T120 13.47489.59NoYes188
52R:R:F124 R:R:T120 10.1473.89YesYes178
53R:R:M208 R:R:S130 18.85147.67YesNo189
54R:R:L211 R:R:S130 21.07763NoNo089
55R:R:F134 R:R:L211 20.00143.65YesNo088
56R:R:F134 R:R:T215 12.33875.19YesNo089
57R:R:T215 R:R:V137 11.2213.17NoNo098
58R:R:D109 R:R:N175 15.24478.08NoNo076
59R:R:N175 R:R:R180 13.71683.62NoYes063
60L:L:?1 R:R:H366 16.885611.7YesYes107
61R:R:H366 R:R:V193 31.316812.45YesNo077
62R:R:A370 R:R:V193 27.85543.39NoNo077
63R:R:A370 R:R:R190 24.38931.38NoNo076
64R:R:P373 R:R:R190 20.918612.97NoNo016
65R:R:F363 R:R:S197 10.07565.28YesNo088
66R:R:I399 R:R:Y400 20.07053.63NoYes099
67R:R:I399 R:R:V350 15.56973.07NoNo097
68R:R:F403 R:R:V350 13.62696.55NoNo087
69R:R:C372 R:R:P373 17.44331.88NoNo081
70R:R:C372 R:R:C375 10.47897.28NoNo087
71R:R:F362 R:R:F363 10.762412.86YesYes188
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:F91 4.75 1 Yes Yes 0 8 0 1
L:L:?1 R:R:M112 6.43 1 Yes No 0 7 0 1
L:L:?1 R:R:D115 19.41 1 Yes No 0 9 0 1
L:L:?1 R:R:V116 9.68 1 Yes No 0 9 0 1
L:L:?1 R:R:C119 5.16 1 Yes No 0 8 0 1
L:L:?1 R:R:S196 5.86 1 Yes No 0 9 0 1
L:L:?1 R:R:S200 3.9 1 Yes No 0 8 0 1
L:L:?1 R:R:F362 14.25 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F363 10.29 1 Yes Yes 0 8 0 1
L:L:?1 R:R:H366 11.7 1 Yes Yes 0 7 0 1
L:L:?1 R:R:T386 3.83 1 Yes No 0 6 0 1
L:L:?1 R:R:Y390 12.19 1 Yes Yes 0 8 0 1
R:R:L83 R:R:V87 4.47 0 No Yes 8 8 2 2
R:R:L83 R:R:Y390 5.86 0 No Yes 8 8 2 1
R:R:D115 R:R:V87 5.84 1 No Yes 9 8 1 2
R:R:L88 R:R:Y390 8.21 0 No Yes 8 8 2 1
R:R:E95 R:R:F91 9.33 1 No Yes 6 8 2 1
R:R:F91 R:R:T386 6.49 1 Yes No 8 6 1 1
R:R:F91 R:R:W387 15.03 1 Yes No 8 8 1 2
R:R:F91 R:R:Y390 12.38 1 Yes Yes 8 8 1 1
R:R:E95 R:R:W387 14.17 1 No No 6 8 2 2
R:R:L187 R:R:M112 5.65 0 No No 7 7 2 1
R:R:D115 R:R:Y390 8.05 1 No Yes 9 8 1 1
R:R:V116 R:R:Y192 3.79 0 No Yes 9 8 1 2
R:R:C119 R:R:W359 3.92 0 No Yes 8 9 1 2
R:R:T120 R:R:V166 6.35 1 Yes No 8 8 2 2
R:R:S200 R:R:T120 9.59 1 No Yes 8 8 1 2
R:R:S200 R:R:V166 4.85 1 No No 8 8 1 2
R:R:L187 R:R:Y192 5.86 0 No Yes 7 8 2 2
R:R:S196 R:R:Y192 13.99 0 No Yes 9 8 1 2
R:R:H366 R:R:V193 12.45 1 Yes No 7 7 1 2
R:R:F363 R:R:S197 5.28 1 Yes No 8 8 1 2
R:R:H366 R:R:S197 4.18 1 Yes No 7 8 1 2
R:R:F201 R:R:F363 21.43 1 Yes Yes 9 8 2 1
R:R:F363 R:R:W359 5.01 1 Yes Yes 8 9 1 2
R:R:F362 R:R:F363 12.86 1 Yes Yes 8 8 1 1
R:R:F362 R:R:H366 14.71 1 Yes Yes 8 7 1 1
R:R:F362 R:R:T386 6.49 1 Yes No 8 6 1 1
R:R:A167 R:R:V116 3.39 0 No No 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

PDB Summary
PDB 8IRU_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 3.5
Number of Linked Nodes 241
Number of Links 271
Number of Hubs 32
Number of Links mediated by Hubs 128
Number of Communities 7
Number of Nodes involved in Communities 51
Number of Links involved in Communities 70
Path Summary
Number Of Nodes in MetaPath 72
Number Of Links MetaPath 71
Number of Shortest Paths 89107
Length Of Smallest Path 3
Average Path Length 16.2148
Length of Longest Path 35
Minimum Path Strength 1.3
Average Path Strength 7.03091
Maximum Path Strength 17.145
Minimum Path Correlation 0.7
Average Path Correlation 0.913835
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 3.22581
Average % Of Corr. Nodes 38.8335
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 47.8013
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier• Transducin (heterotrimeric G protein), gamma chain
SCOP2Family Identifier• Transducin (heterotrimeric G protein), gamma chain
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 .
CodeR5F
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeR5F
NameRotigotine
Synonyms(6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
Identifier
FormulaC19 H25 N O S
Molecular Weight315.473
SMILES
PubChem59227
Formal Charge0
Total Atoms47
Total Chiral Atoms1
Total Bonds49
Total Aromatic Bonds11

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP21917
Sequence
>8IRU_nogp_Chain_R
GQGAAALVG GVLLIGAVL AGNSLVCVS VATERALQT PTNSFIVSL 
AAADLLLAL LVLPLFVYS EVQGGAWLL SPRLCDALM AMDVMLCTA 
SIFNLCAIS VDRFVAVAV PLRYNRQGG SRRQLLLIG ATWLLSAAV 
AAPVLCGLN DVRGRDPAV CRLEDRDYV VYSSVCSFF LPCPLMLLL 
YWATFRGLQ RWEVARRRK AMRVLPVVV GAFLLCWTP FFVVHITQA 
LCPACSVPP RLVSAVTWL GYVNSALNP VIYTVFNAE FRNVFRK


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
8JD4CAminoacidMetabotropic GlutamatemGlu2; mGlu4Homo sapiensGlutamate--2.92023-06-2110.1038/s41422-023-00830-2
8IRUAAmineDopamineD4Homo sapiensRotigotine-chim(NtGi1-Gs-CtGi1)/β1/γ23.22023-06-0710.1038/s41422-023-00808-0
8IRU (No Gprot) AAmineDopamineD4Homo sapiensRotigotine-3.22023-06-0710.1038/s41422-023-00808-0
8ID4ALipidFree Fatty AcidFFA4Homo sapiensLinoleic acid-Gi1/β1/γ23.12023-03-1510.1126/science.add6220
8ID4 (No Gprot) ALipidFree Fatty AcidFFA4Homo sapiensLinoleic acid-3.12023-03-1510.1126/science.add6220
7TD4ALipidLysophospholipidS1P1Homo sapiensSiponimod-Gi1/β1/γ22.62022-02-0910.1038/s41467-022-28417-2
7TD4 (No Gprot) ALipidLysophospholipidS1P1Homo sapiensSiponimod-2.62022-02-0910.1038/s41467-022-28417-2
7LD4ANucleotideAdenosineA1Homo sapiensAdenosine-Gi2/β1/γ23.32021-09-0810.1038/s41586-021-03897-2
7LD4 (No Gprot) ANucleotideAdenosineA1Homo sapiensAdenosine-3.32021-09-0810.1038/s41586-021-03897-2
6IQLAAmineDopamineD4Mus musculusL745870--3.52019-12-0410.7554/eLife.48822
6BD4FProteinFrizzledFZD4Homo sapiens---2.42018-08-2210.1038/s41586-018-0447-x
5WIVAAmineDopamineD4Homo sapiensNemonaprideNa-2.142017-10-1810.1126/science.aan5468
5WIUAAmineDopamineD4Homo sapiensNemonapride--1.962017-10-1810.1126/science.aan5468
3D4SAAmineAdrenergicβ2Homo sapiensTimolol--2.82008-06-1710.1016/j.str.2008.05.001




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 8IRU_nogp.zip



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