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 8.42222910
2R:R:L52 3.005407
3R:R:Y64 8.514507
4R:R:D72 8.345409
5R:R:F75 6.332506
6R:R:L76 3.6625407
7R:R:R79 9.135406
8R:R:Y99 13.806513
9R:R:F104 4.12405
10R:R:Y106 7.245407
11R:R:F107 5.89667616
12R:R:F112 4.88286747
13R:R:L113 5.3975438
14R:R:L125 3.8925477
15R:R:Y130 11.315427
16R:R:R134 7.88667629
17R:R:W147 5.685449
18R:R:R153 6.945414
19R:R:E157 6.78514
20R:R:D177 6.1675414
21R:R:F225 5.36508
22R:R:F232 5.395405
23R:R:F237 5.60667615
24R:R:F259 5.235405
25R:R:N268 5.97439
26R:R:I271 4.8475438
27R:R:Y272 6.036539
28R:R:F273 6.6525467
29R:R:F274 5.4875467
   

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:Y99 36.734932.71YesYes103
2R:R:F236 R:R:Y99 40.72337.22NoYes043
3R:R:F232 R:R:F236 42.00743.22YesNo054
4R:R:F232 R:R:R79 11.18933.21YesYes056
5R:R:F75 R:R:R79 12.26469.62YesYes066
6R:R:F75 R:R:S265 61.22783.96YesNo069
7R:R:D72 R:R:S265 57.280311.78YesNo099
8R:R:D72 R:R:N268 58.68696.73YesYes099
9R:R:N264 R:R:N268 1008.17NoYes099
10R:R:C228 R:R:N264 92.82643.15NoNo089
11R:R:C228 R:R:L263 87.99853.17NoNo085
12R:R:L263 R:R:V37 85.5712.98NoNo057
13R:R:L33 R:R:V37 83.13442.98NoNo067
14R:R:F259 R:R:L33 80.68428.53YesNo056
15R:R:F259 R:R:T34 28.55853.89YesNo055
16R:R:S83 R:R:T34 25.90863.2NoNo065
17R:R:S83 R:R:T31 15.73571.6NoNo064
18R:R:T27 R:R:T31 13.04511.57NoNo044
19R:R:F232 R:R:Y106 24.76527.22YesYes057
20R:R:F75 R:R:Y106 44.51656.19YesYes067
21L:L:?1 R:R:E157 58.69148.09YesYes104
22R:R:E157 R:R:R153 42.23429.3YesYes144
23R:R:F107 R:R:R153 31.067710.69YesYes164
24R:R:F107 R:R:Y106 75.69316.19YesYes067
25R:R:E157 R:R:F237 25.67274.66YesYes145
26R:R:F107 R:R:F237 52.70664.29YesYes165
27L:L:?1 R:R:D177 22.77788.28YesYes104
28R:R:D177 R:R:F237 27.03393.58YesYes145
29R:R:F232 R:R:S261 10.26367.93YesNo057
30R:R:F75 R:R:S261 10.61757.93YesNo067
31R:R:L110 R:R:Y106 61.45479.38NoYes077
32R:R:F225 R:R:L110 61.26416.09YesNo087
33R:R:F225 R:R:L113 55.6656.09YesYes088
34R:R:L113 R:R:N268 47.02125.49YesYes389
35R:R:F259 R:R:L30 46.47674.87YesNo055
36R:R:L76 R:R:S265 18.3724.5YesNo079
37R:R:R153 R:R:S154 28.22721.32YesNo046
38R:R:F104 R:R:S154 28.54031.32YesNo056
39R:R:F104 R:R:W147 31.02686.01YesYes059
40R:R:N67 R:R:W147 13.66214.52NoYes499
41R:R:C143 R:R:N67 13.5267.87NoNo479
42R:R:C143 R:R:Y64 61.42294.03NoYes077
43R:R:S139 R:R:Y64 37.687713.99NoYes097
44R:R:I63 R:R:S139 36.23587.74NoNo079
45R:R:I63 R:R:R58 34.7523.76NoNo077
46R:R:L66 R:R:R58 31.74373.64NoNo077
47R:R:L52 R:R:L66 30.22374.15YesNo077
48R:R:F273 R:R:L52 24.07552.44YesYes077
49R:R:F112 R:R:W147 20.0697.02YesYes479
50R:R:C143 R:R:F112 49.19915.59NoYes477
51R:R:L113 R:R:Y272 11.13485.86YesYes389
52R:R:F112 R:R:L68 42.93756.09YesNo079
53L:L:?1 R:R:Y82 40.11983.07YesNo003
54R:R:L98 R:R:Y82 32.71933.52NoNo043
55R:R:I81 R:R:L98 16.59785.71NoNo054
56R:R:I81 R:R:L85 12.46434.28NoNo054
57R:R:I94 R:R:L98 12.46438.56NoNo054
58R:R:F107 R:R:L184 17.31027.31YesNo068
59R:R:F225 R:R:L191 16.84748.53YesNo088
60R:R:L191 R:R:S117 15.37736.01NoNo089
61R:R:S117 R:R:S194 13.87994.89NoNo098
62R:R:C121 R:R:S194 10.8581.72NoNo088
63R:R:E119 R:R:Y64 22.868616.83NoYes097
64R:R:F225 R:R:L226 28.85343.65YesNo086
65R:R:L226 R:R:V222 19.02542.98NoNo068
66R:R:S195 R:R:V222 17.54623.23NoNo088
67R:R:I218 R:R:S195 16.33923.1NoNo088
68R:R:E119 R:R:R134 12.12859.3NoYes299
69L:L:?1 R:R:K96 67.47132.46YesNo005
70R:R:F163 R:R:K96 63.80518.69NoNo045
71R:R:F163 R:R:W158 52.17577.02NoNo044
72R:R:L164 R:R:W158 48.11923.42NoNo014
73R:R:L164 R:R:M159 19.93748.48NoNo014
74R:R:L160 R:R:M159 15.80834.24NoNo034
75R:R:F165 R:R:L164 24.36592.44NoNo011
76R:R:F165 R:R:W172 16.11693.01NoNo011
77R:R:D169 R:R:W172 12.464311.17NoNo031
78R:R:I234 R:R:L184 15.42272.85NoNo068
79R:R:I234 R:R:L238 13.5264.28NoNo065
80R:R:L255 R:R:L30 41.29954.15NoNo025
81R:R:F250 R:R:L255 39.28947.31NoNo032
82R:R:F250 R:R:H254 36.680410.18NoNo031
83R:R:H254 R:R:Q235 34.05337.42NoNo013
84R:R:Q235 R:R:V253 29.01222.87NoNo034
85R:R:F239 R:R:V253 13.00421.31NoNo044
86R:R:H252 R:R:V253 13.5851.38NoNo014
87R:R:H252 R:R:V248 10.885213.84NoNo011
88R:R:D72 R:R:L68 21.00828.14YesNo099
89R:R:L113 R:R:L68 26.52124.15YesNo089
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:Y82 3.07 1 Yes No 0 3 0 1
L:L:?1 R:R:Y99 32.71 1 Yes Yes 0 3 0 1
L:L:?1 R:R:E157 8.09 1 Yes Yes 0 4 0 1
L:L:?1 R:R:C161 6.92 1 Yes No 0 4 0 1
L:L:?1 R:R:C173 5.54 1 Yes No 0 9 0 1
L:L:?1 R:R:D177 8.28 1 Yes Yes 0 4 0 1
L:L:?1 R:R:L240 7.24 1 Yes No 0 4 0 1
R:R:S95 R:R:Y82 3.82 0 No No 7 3 2 1
R:R:L98 R:R:Y82 3.52 0 No No 4 3 2 1
R:R:F163 R:R:K96 8.69 0 No No 4 5 2 1
R:R:P100 R:R:Y99 6.95 0 No Yes 4 3 2 1
R:R:M103 R:R:Y99 13.17 0 No Yes 2 3 2 1
R:R:E157 R:R:Y99 8.98 1 Yes Yes 4 3 1 1
R:R:F236 R:R:Y99 7.22 0 No Yes 4 3 2 1
R:R:E157 R:R:R153 9.3 1 Yes Yes 4 4 1 2
R:R:E157 R:R:F237 4.66 1 Yes Yes 4 5 1 2
R:R:C161 R:R:C173 7.28 1 No No 4 9 1 1
R:R:C173 R:R:D177 4.67 1 No Yes 9 4 1 1
R:R:D177 R:R:F237 3.58 1 Yes Yes 4 5 1 2
R:R:D177 R:R:L240 8.14 1 Yes No 4 4 1 1
R:R:F236 R:R:F237 6.43 0 No Yes 4 5 2 2
R:R:E157 R:R:S176 2.87 1 Yes No 4 3 1 2
L:L:?1 R:R:K96 2.46 1 Yes No 0 5 0 1
L:L:?1 R:R:G162 1.49 1 Yes No 0 2 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 8DWH_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 2.98
Number of Linked Nodes 230
Number of Links 254
Number of Hubs 29
Number of Links mediated by Hubs 111
Number of Communities 7
Number of Nodes involved in Communities 36
Number of Links involved in Communities 47
Path Summary
Number Of Nodes in MetaPath 90
Number Of Links MetaPath 89
Number of Shortest Paths 54260
Length Of Smallest Path 3
Average Path Length 15.7243
Length of Longest Path 33
Minimum Path Strength 1.27
Average Path Strength 5.84175
Maximum Path Strength 19.83
Minimum Path Correlation 0.7
Average Path Correlation 0.921729
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 3.44828
Average % Of Corr. Nodes 40.6411
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 38.8172
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
>8DWH_nogp_Chain_R
KQTLSLTVL TCIVSLVGL TGNAVVLWL LGCRMRRNA FSIYILNLA 
AADFLFLSG RLIYSLLSF ISIPHTISK ILYPVMMFS YFAGLSFLS 
AVSTERCLS VLWPIWYRC HRPTHLSAV VCVLLWALS LLRSILEWM 
LCGFLFSGA DSAWCQTSD FITVAWLIF LCVVLCGSS LVLLIRILC 
LTRLYVTIL LTVLVFLLC GLPFGIQFF LFLWIHVDR EVLFCHVHL 
VSIFLSALN SSANPIIYF FVGSF


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 8DWH_nogp.zip



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