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:L42 3.6975447
2R:R:Y64 5.70833607
3R:R:L68 6.0575429
4R:R:D72 6.195429
5R:R:F75 6.32536
6R:R:L76 3.715447
7R:R:R79 7.396536
8R:R:L80 4.645447
9R:R:F87 2.9075404
10R:R:Y99 11.938513
11R:R:F104 4.755405
12R:R:Y106 6.37167637
13R:R:F112 5.43627
14R:R:L113 6.2675428
15R:R:L125 3.34477
16R:R:R134 5.22333659
17R:R:W147 5.64529
18R:R:R153 9.7725414
19R:R:E157 9.4875414
20R:R:W158 6.225414
21R:R:D177 6.44514
22R:R:W183 5.815466
23R:R:L211 4.436586
24R:R:I218 3.985408
25R:R:F225 7428
26R:R:L230 4.55525
27R:R:F232 6.105435
28R:R:F236 5.255414
29R:R:F237 5.78167615
30R:R:L240 7.5675414
31R:R:N268 10.5725429
32R:R:Y272 4.384529
33R:R:F273 6.9725407
34L:L:?1 11.071010
   

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:F87 R:R:T31 14.33653.89YesNo044
2R:R:F87 R:R:L84 26.04852.44YesNo045
3R:R:L80 R:R:L84 28.94864.15YesNo075
4R:R:L80 R:R:S38 17.29497.51YesNo475
5R:R:L76 R:R:S38 18.68944.5YesNo475
6R:R:L76 R:R:S265 47.96674.5YesNo079
7R:R:F75 R:R:S265 95.1017.93YesNo069
8R:R:F75 R:R:R79 32.56996.41YesYes366
9R:R:I258 R:R:R79 17.22612.53NoYes046
10R:R:H254 R:R:I258 15.74157.95NoNo014
11R:R:L42 R:R:L80 17.41692.77YesYes477
12R:R:L42 R:R:L76 21.60544.15YesYes477
13R:R:D72 R:R:S265 1005.89YesNo099
14R:R:D72 R:R:N45 32.72894.04YesNo099
15R:R:N45 R:R:P269 31.276211.4NoNo099
16R:R:P269 R:R:V48 29.81281.77NoNo099
17R:R:F273 R:R:V48 23.85356.55YesNo079
18R:R:C143 R:R:Y64 22.84082.69NoYes077
19R:R:C143 R:R:N67 24.11336.3NoNo079
20R:R:F112 R:R:N67 24.46856.04YesNo279
21R:R:F112 R:R:L68 42.91933.65YesYes279
22R:R:D72 R:R:L68 57.73295.43YesYes299
23R:R:E119 R:R:Y64 13.445712.35NoYes097
24R:R:E119 R:R:R134 12.300510.47NoYes099
25R:R:L113 R:R:Y272 27.27853.52YesYes289
26R:R:L113 R:R:L68 55.19865.54YesYes289
27R:R:L113 R:R:N268 36.959912.36YesYes289
28R:R:D72 R:R:N268 40.74559.42YesYes299
29R:R:F112 R:R:W147 10.428911.02YesYes279
30R:R:F75 R:R:M102 16.88673.73YesNo364
31R:R:F75 R:R:Y106 59.56748.25YesYes367
32R:R:I81 R:R:S77 14.74473.1NoNo055
33R:R:G78 R:R:S77 16.18681.86NoNo055
34R:R:G78 R:R:M102 17.61841.75NoNo054
35R:R:F232 R:R:R79 14.94624.28YesYes356
36R:R:F232 R:R:Y106 19.9838.25YesYes357
37R:R:I81 R:R:L98 13.28675.71NoNo054
38R:R:I94 R:R:L98 12.07781.43NoNo054
39L:L:?1 R:R:E157 11.823311.56YesYes104
40R:R:E157 R:R:R153 17.872911.63YesYes144
41R:R:F107 R:R:R153 61.974412.83NoYes064
42R:R:F107 R:R:Y106 55.95675.16NoYes067
43L:L:?1 R:R:F237 11.50524.25YesYes105
44R:R:F237 R:R:R153 41.5464.28YesYes154
45R:R:F107 R:R:W183 31.27624.01NoYes066
46R:R:F112 R:R:L146 27.72926.09YesNo077
47R:R:L146 R:R:S111 27.46946.01NoNo076
48R:R:S111 R:R:W183 26.43023.71NoYes666
49R:R:F225 R:R:L113 66.56593.65YesYes288
50R:R:F225 R:R:L191 35.613217.05YesNo088
51R:R:F186 R:R:W183 16.60573.01NoYes056
52R:R:F186 R:R:V190 13.91237.87NoNo056
53R:R:S194 R:R:V190 12.54971.62NoNo086
54R:R:T221 R:R:Y272 13.74263.75NoYes089
55R:R:R120 R:R:T221 11.34623.88NoNo098
56R:R:I218 R:R:S195 26.32423.1YesNo088
57R:R:S195 R:R:V222 28.67823.23NoNo088
58R:R:L191 R:R:V222 31.02172.98NoNo088
59R:R:I218 R:R:L214 17.6292.85YesNo087
60R:R:D177 R:R:S176 20.41781.47YesNo143
61R:R:D177 R:R:F237 25.83648.36YesYes145
62R:R:L160 R:R:S176 17.123NoNo133
63R:R:L160 R:R:W172 15.50294.56NoNo031
64R:R:F225 R:R:L230 26.23933.65YesYes285
65R:R:C188 R:R:L230 12.13627.94NoYes065
66R:R:L211 R:R:L214 13.25492.77YesNo867
67R:R:F232 R:R:S257 25.68263.96YesNo056
68R:R:F239 R:R:Q235 27.96784.68NoNo043
69R:R:H254 R:R:Q235 10.68879.89NoNo013
70R:R:Q235 R:R:S257 23.174810.11NoNo036
71R:R:H252 R:R:V253 14.73414.15NoNo014
72R:R:F239 R:R:V253 18.03722.62NoNo044
73R:R:H252 R:R:L249 11.06525.14NoNo013
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:K96 R:R:W158 8.12 1 No Yes 5 4 1 1
L:L:?1 R:R:K96 17.22 1 Yes No 0 5 0 1
R:R:P100 R:R:Y99 5.56 0 No Yes 4 3 2 1
R:R:M103 R:R:Y99 7.18 0 No Yes 2 3 2 1
R:R:E157 R:R:Y99 10.1 1 Yes Yes 4 3 1 1
R:R:F236 R:R:Y99 5.16 1 Yes Yes 4 3 1 1
L:L:?1 R:R:Y99 31.69 1 Yes Yes 0 3 0 1
R:R:E157 R:R:R153 11.63 1 Yes Yes 4 4 1 2
R:R:R153 R:R:T180 10.35 1 Yes No 4 5 2 2
R:R:F237 R:R:R153 4.28 1 Yes Yes 5 4 1 2
R:R:E157 R:R:F237 4.66 1 Yes Yes 4 5 1 1
L:L:?1 R:R:E157 11.56 1 Yes Yes 0 4 0 1
R:R:G162 R:R:W158 2.81 0 No Yes 2 4 2 1
R:R:F163 R:R:W158 7.02 0 No Yes 4 4 2 1
L:L:?1 R:R:W158 6.95 1 Yes Yes 0 4 0 1
R:R:C161 R:R:C173 7.28 1 No No 4 9 1 1
L:L:?1 R:R:C161 2.77 1 Yes No 0 4 0 1
L:L:?1 R:R:C173 5.54 1 Yes No 0 9 0 1
R:R:D177 R:R:F237 8.36 1 Yes Yes 4 5 1 1
R:R:D177 R:R:L240 2.71 1 Yes Yes 4 4 1 1
R:R:D177 R:R:W241 7.82 1 Yes No 4 3 1 2
L:L:?1 R:R:D177 11.84 1 Yes Yes 0 4 0 1
R:R:F237 R:R:T180 7.78 1 Yes No 5 5 1 2
R:R:F236 R:R:F237 5.36 1 Yes Yes 4 5 1 1
R:R:F236 R:R:L240 7.31 1 Yes Yes 4 4 1 1
L:L:?1 R:R:F236 3.19 1 Yes Yes 0 4 0 1
L:L:?1 R:R:F237 4.25 1 Yes Yes 0 5 0 1
R:R:L240 R:R:W241 4.56 1 Yes No 4 3 1 2
L:L:?1 R:R:L240 15.69 1 Yes Yes 0 4 0 1
R:R:D177 R:R:S176 1.47 1 Yes No 4 3 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 8HJ5_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 2.69
Number of Linked Nodes 228
Number of Links 256
Number of Hubs 34
Number of Links mediated by Hubs 127
Number of Communities 8
Number of Nodes involved in Communities 55
Number of Links involved in Communities 76
Path Summary
Number Of Nodes in MetaPath 74
Number Of Links MetaPath 73
Number of Shortest Paths 40039
Length Of Smallest Path 3
Average Path Length 12.8417
Length of Longest Path 26
Minimum Path Strength 1.18
Average Path Strength 5.72815
Maximum Path Strength 18.6967
Minimum Path Correlation 0.7
Average Path Correlation 0.918286
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 5.26316
Average % Of Corr. Nodes 47.5432
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 46.5894
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 .
CodeU2U
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeU2U
NameN-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide
Synonyms
Identifier
FormulaC23 H21 N3 O4 S
Molecular Weight435.496
SMILES
PubChem139030531
Formal Charge0
Total Atoms52
Total Chiral Atoms0
Total Bonds55
Total Aromatic Bonds23

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtQ96LB2
Sequence
>8HJ5_nogp_Chain_R
QTLSLTVLT CIVSLVGLT GNAVVLWLL GCRMRRNAF SIYILNLAA 
ADFLFLSGR LIYSLLSFI SPHTISKIL YPVMMFSYF AGLSFLSAV 
STERCLSVL WPIWYRCHR PTHLSAVVC VLLWALSLL RSILEWMLC 
GFLFSGADS AWCQTSDFI TVAWLIFLC VVLCGSSLV LLIRILCGS 
RKIPLTRLY VTILLTVLV FLLCGLPFG IQFFLFLWI HVDREVLFC 
HVHLVSIFL SALNSSANP IIYFFVGSF


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
8JGFAOrphanOrphanMRGPRX1Homo sapiensBAM8-22-chim(NtGi1-Gs-CtGq)/β1/γ22.72024-01-1010.1038/s41467-023-40705-z
8JGF (No Gprot) AOrphanOrphanMRGPRX1Homo sapiensBAM8-22-2.72024-01-1010.1038/s41467-023-40705-z
8JGGAOrphanOrphanMRGPRX1Homo sapiensBAM8-22-Gi1/β1/γ232024-01-1010.1038/s41467-023-40705-z
8JGG (No Gprot) AOrphanOrphanMRGPRX1Homo sapiensBAM8-22-32024-01-1010.1038/s41467-023-40705-z
8JGBAOrphanOrphanMRGPRX1Homo sapiensConorfamide-Tx2-Gi1/β1/γ22.842024-01-1010.1038/s41467-023-40705-z
8JGB (No Gprot) AOrphanOrphanMRGPRX1Homo sapiensConorfamide-Tx2-2.842024-01-1010.1038/s41467-023-40705-z
8HJ5AOrphanOrphanMRGPRX1Homo sapiensPubChem 139030531-chim(NtGi1-Gs-CtGq)/β1/γ232023-05-3110.1371/journal.pbio.3001975
8HJ5 (No Gprot) AOrphanOrphanMRGPRX1Homo sapiensPubChem 139030531-32023-05-3110.1371/journal.pbio.3001975
8DWHAOrphanOrphanMRGPRX1Homo sapiensPubChem 139030531-chim(NtGi2L-Gs-CtGq)/β1/γ23.252022-11-0210.1038/s41589-022-01173-6
8DWH (No Gprot) AOrphanOrphanMRGPRX1Homo sapiensPubChem 139030531-3.252022-11-0210.1038/s41589-022-01173-6
8DWGAOrphanOrphanMRGPRX1Homo sapiensProenkephalin-AML382chim(NtGi2L-Gs-CtGq)/β1/γ22.712022-11-0210.1038/s41589-022-01173-6
8DWG (No Gprot) AOrphanOrphanMRGPRX1Homo sapiensProenkephalin-AML3822.712022-11-0210.1038/s41589-022-01173-6
8DWCAOrphanOrphanMRGPRX1Homo sapiensProenkephalin-A-chim(NtGi2L-Gs-CtGq)/β1/γ22.872022-11-0210.1038/s41589-022-01173-6
8DWC (No Gprot) AOrphanOrphanMRGPRX1Homo sapiensProenkephalin-A-2.872022-11-0210.1038/s41589-022-01173-6




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 8HJ5_nogp.zip



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