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:I58 3.0525405
2R:R:Y61 7.30333617
3R:R:N72 6.355409
4R:R:N82 4.4775406
5R:R:M85 4.7675408
6R:R:F92 3.996508
7R:R:L96 6.925429
8R:R:D100 7.512529
9R:R:L108 6.3525417
10R:R:W120 7.08667617
11R:R:I130 5.24405
12R:R:Q134 6.266517
13R:R:V140 5.8725407
14R:R:W153 6.00667608
15R:R:M184 5.745407
16R:R:M191 3.99416
17R:R:E192 5.395435
18R:R:E212 9.87514
19R:R:W214 14.8475404
20R:R:Y232 6.7025408
21R:R:L236 3.225406
22R:R:Y243 4.79833629
23R:R:L310 3.3925428
24R:R:F313 6.1875429
25R:R:Y317 6.995427
26R:R:R328 10.482514
27R:R:V329 3.3125405
28R:R:Y354 7.21333617
29R:R:N360 8.2575429
30R:R:I363 4.17428
31R:R:Y364 5.23167629
32R:R:F371 6.2275408
33L:L:?1 8.702861410
   

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:F65 R:R:L108 12.22258.53NoYes067
2R:R:V353 R:R:Y354 1003.79NoYes077
3R:R:V353 R:R:Y317 99.52037.57NoYes077
4R:R:N356 R:R:Y317 51.3428.14NoYes097
5R:R:N356 R:R:N360 49.836910.9NoYes099
6R:R:D100 R:R:N360 40.15438.08YesYes299
7R:R:D100 R:R:N72 39.00666.73YesYes099
8R:R:N72 R:R:S97 33.70755.96YesNo099
9R:R:S97 R:R:V75 30.44343.23NoNo099
10R:R:N365 R:R:V75 29.34598.87NoNo079
11R:R:F371 R:R:N365 23.886914.5YesNo087
12R:R:F371 R:R:M85 15.80963.73YesYes088
13R:R:N360 R:R:Y364 14.73415.81YesYes299
14R:R:I176 R:R:V140 10.64844.61NoYes067
15R:R:S180 R:R:V140 15.32363.23NoYes087
16R:R:S139 R:R:S180 16.2584.89NoNo078
17R:R:M184 R:R:S139 17.45894.6YesNo077
18R:R:M184 R:R:T135 11.91839.03YesNo076
19L:L:?1 R:R:T135 21.91154.74YesNo006
20L:L:?1 R:R:T111 39.502111.36YesNo107
21L:L:?1 R:R:F227 12.16924.7YesNo005
22R:R:C107 R:R:Y354 36.38226.72NoYes177
23L:L:?1 R:R:W120 19.99873.66YesYes107
24L:L:?1 R:R:Y343 32.726118.83YesNo003
25L:L:?1 R:R:M191 15.22953.63YesYes106
26R:R:V196 R:R:V209 10.1754.81NoNo035
27R:R:R339 R:R:V196 28.20145.23NoNo013
28R:R:R339 R:R:Y343 29.8118.52NoNo013
29R:R:Q187 R:R:T135 13.93458.5NoNo066
30R:R:Q187 R:R:Y223 11.03734.51NoNo068
31R:R:P186 R:R:Y223 10.181213.91NoNo068
32R:R:F313 R:R:Y317 51.60547.22YesYes297
33R:R:F313 R:R:M239 33.61979.95YesNo298
34R:R:M239 R:R:Y243 20.62593.59NoYes289
35R:R:R152 R:R:Y243 11.85568.23NoYes299
36R:R:I246 R:R:Y243 20.5822.42NoYes099
37R:R:I246 R:R:W153 16.92592.35NoYes098
38R:R:E212 R:R:M191 13.7374.06YesYes146
39R:R:E212 R:R:W214 11.322614.17YesYes044
40R:R:F207 R:R:P198 15.17312.89NoNo032
41R:R:F207 R:R:V196 16.83189.18NoNo033
42R:R:N324 R:R:R328 26.80613.62NoYes074
43L:L:?1 R:R:N324 28.17957.06YesNo007
44R:R:L236 R:R:Y232 23.02464.69YesYes068
45R:R:F313 R:R:L236 23.50123.65YesYes096
46R:R:L318 R:R:Y232 14.57737.03NoYes068
47R:R:L310 R:R:M239 12.22254.24YesNo288
48R:R:F247 R:R:M307 12.12847.46NoNo066
49R:R:L310 R:R:M307 15.7722.83YesNo086
50R:R:L318 R:R:P319 11.71143.28NoNo069
51R:R:H350 R:R:Y354 32.04577.62NoYes157
52R:R:F346 R:R:K327 22.87414.96NoNo043
53R:R:K327 R:R:R328 24.60494.95NoYes034
54R:R:F330 R:R:L326 12.50782.44NoNo035
55R:R:L326 R:R:M332 14.272.83NoNo053
56R:R:F333 R:R:M332 16.0267.46NoNo043
57R:R:F333 R:R:F346 19.50965.36NoNo044
58R:R:F330 R:R:V329 10.73943.93NoYes035
59R:R:L108 R:R:Y354 12.49848.21YesYes177
60R:R:T111 R:R:Y354 31.48129.99NoYes177
61L:L:?1 R:R:C107 31.35584.08YesNo107
62L:L:?1 R:R:H350 31.449917.35YesNo105
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:T111 R:R:Y61 4.99 1 No Yes 7 7 1 2
R:R:Y354 R:R:Y61 6.95 1 Yes Yes 7 7 2 2
R:R:C107 R:R:Q134 6.1 1 No Yes 7 7 1 1
R:R:C107 R:R:Y354 6.72 1 No Yes 7 7 1 2
L:L:?1 R:R:C107 4.08 1 Yes No 0 7 0 1
R:R:T111 R:R:Y354 9.99 1 No Yes 7 7 1 2
L:L:?1 R:R:T111 11.36 1 Yes No 0 7 0 1
L:L:?1 R:R:V114 10.53 1 Yes No 0 5 0 1
R:R:E118 R:R:Y343 6.73 0 No No 4 3 2 1
R:R:F122 R:R:W120 13.03 0 No Yes 6 7 2 1
R:R:C127 R:R:W120 3.92 1 No Yes 9 7 2 1
R:R:I130 R:R:W120 3.52 0 Yes Yes 5 7 2 1
R:R:C210 R:R:W120 16.98 1 No Yes 9 7 2 1
L:L:?1 R:R:W120 3.66 1 Yes Yes 0 7 0 1
R:R:C127 R:R:C210 7.28 1 No No 9 9 2 2
R:R:I130 R:R:P131 3.39 0 Yes No 5 5 2 1
R:R:I130 R:R:Q134 5.49 0 Yes Yes 5 7 2 1
R:R:M191 R:R:P131 5.03 1 Yes No 6 5 1 1
L:L:?1 R:R:P131 7.39 1 Yes No 0 5 0 1
L:L:?1 R:R:Q134 15.39 1 Yes Yes 0 7 0 1
R:R:M184 R:R:T135 9.03 0 Yes No 7 6 2 1
R:R:Q187 R:R:T135 8.5 0 No No 6 6 2 1
L:L:?1 R:R:T135 4.74 1 Yes No 0 6 0 1
L:L:?1 R:R:V138 6.7 1 Yes No 0 6 0 1
R:R:F227 R:R:M184 4.98 0 No Yes 5 7 1 2
R:R:E212 R:R:Q187 3.82 1 Yes No 4 6 2 2
R:R:C210 R:R:M191 3.24 1 No Yes 9 6 2 1
R:R:E212 R:R:M191 4.06 1 Yes Yes 4 6 2 1
L:L:?1 R:R:M191 3.63 1 Yes Yes 0 6 0 1
R:R:E212 R:R:R328 17.45 1 Yes Yes 4 4 2 2
R:R:F227 R:R:T231 3.89 0 No No 5 6 1 2
L:L:?1 R:R:F227 4.7 1 Yes No 0 5 0 1
R:R:H350 R:R:I320 10.61 1 No No 5 7 1 1
L:L:?1 R:R:I320 6.42 1 Yes No 0 7 0 1
R:R:N324 R:R:R328 3.62 0 No Yes 7 4 1 2
L:L:?1 R:R:N324 7.06 1 Yes No 0 7 0 1
R:R:R339 R:R:Y343 18.52 0 No No 1 3 2 1
L:L:?1 R:R:Y343 18.83 1 Yes No 0 3 0 1
R:R:H350 R:R:Y354 7.62 1 No Yes 5 7 1 2
L:L:?1 R:R:H350 17.35 1 Yes No 0 5 0 1
R:R:Q134 R:R:T106 2.83 1 Yes No 7 5 1 2
R:R:A110 R:R:Q134 1.52 0 No Yes 4 7 2 1
R:R:G123 R:R:W120 1.41 0 No Yes 8 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 7L1V_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 3.23
Number of Linked Nodes 258
Number of Links 282
Number of Hubs 33
Number of Links mediated by Hubs 136
Number of Communities 4
Number of Nodes involved in Communities 37
Number of Links involved in Communities 50
Path Summary
Number Of Nodes in MetaPath 63
Number Of Links MetaPath 62
Number of Shortest Paths 57485
Length Of Smallest Path 3
Average Path Length 13.1056
Length of Longest Path 32
Minimum Path Strength 1.31
Average Path Strength 6.56674
Maximum Path Strength 21.905
Minimum Path Correlation 0.7
Average Path Correlation 0.928164
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 5.26316
Average % Of Corr. Nodes 52.3547
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 40.9309
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 .
CodeXGD
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeXGD
Name4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide
Synonyms
Identifier
FormulaC33 H32 N6 O5 S
Molecular Weight624.709
SMILES
PubChem155491009
Formal Charge0
Total Atoms77
Total Chiral Atoms0
Total Bonds81
Total Aromatic Bonds29

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtO43614
Sequence
>7L1V_nogp_Chain_R
WVLIAGYII VFVVALIGN VLVCVAVWK NHHMRTVTN YFIVNLSLA 
DVLVTITCL PATLVVDIT ETWFFGQSL CKVIPYLQT VSVSVSVLT 
LSCIALDRW YAICHPLMF KSTAKRARN SIVIIWIVS CIIMIPQAI 
VMECSTVFP GLANKTTLF TVCDERWGG EIYPKMYHI CFFLVTYMA 
PLCLMVLAY LQIFRKLWE IKQIRARRK TARMLMVVL LVFAICYLP 
ISILNVLKR VFGMFAHTE DRETVYAWF TFSHWLVYA NSAANPIIY 
NFLSGKFRE EFKAA


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
7XRRAPeptideOrexinOX2Homo sapiensLemborexant--2.892022-11-2310.1016/j.str.2022.11.001
7SR8APeptideOrexinOX2Homo sapiensTAK-925-chim(NtGi1L-Gs-CtGq)/β1/γ23.32022-06-0810.1038/s41467-022-30601-3
7SR8 (No Gprot) APeptideOrexinOX2Homo sapiensTAK-925-3.32022-06-0810.1038/s41467-022-30601-3
7SQOAPeptideOrexinOX2Homo sapiensTAK-925-Gi1/β1/γ23.172022-05-2510.1038/s41467-022-30601-3
7SQO (No Gprot) APeptideOrexinOX2Homo sapiensTAK-925-3.172022-05-2510.1038/s41467-022-30601-3
7L1VAPeptideOrexinOX2Homo sapiensPubChem 155491009-chim(NtGi1-Gs-CtGq)/β1/γ232021-02-1010.1038/s41467-021-21087-6
7L1V (No Gprot) APeptideOrexinOX2Homo sapiensPubChem 155491009-32021-02-1010.1038/s41467-021-21087-6
7L1UAPeptideOrexinOX2Homo sapiensOrexin-chim(NtGi1-Gs-CtGq)/β1/γ23.22021-02-1010.1038/s41467-021-21087-6
7L1U (No Gprot) APeptideOrexinOX2Homo sapiensOrexin-3.22021-02-1010.1038/s41467-021-21087-6
6TPNAPeptideOrexinOX2Homo sapiensHTL6641--2.612020-01-0110.1021/acs.jmedchem.9b01787
6TPJAPeptideOrexinOX2Homo sapiensSuvorexant--2.742020-01-0110.1021/acs.jmedchem.9b01787
6TPGAPeptideOrexinOX2Homo sapiensEMPA--2.742020-01-0110.1021/acs.jmedchem.9b01787
5WS3APeptideOrexinOX2Homo sapiensEMPA--2.32017-12-1310.1016/j.str.2017.11.005
5WQCAPeptideOrexinOX2Homo sapiensEMPA--1.962017-11-2910.1016/j.str.2017.11.005
4S0VAPeptideOrexinOX2Homo sapiensSuvorexant--2.52015-01-1410.1038/nature14035




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 7L1V_nogp.zip



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