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:N72 7.93469
2R:R:N82 7.405426
3R:R:M85 5.488528
4R:R:F92 4.452508
5R:R:L108 4.97407
6R:R:C127 6.1525449
7R:R:L145 4.7875419
8R:R:W153 8.54667678
9R:R:Y154 7.4575404
10R:R:H158 5.775476
11R:R:M184 4.6775407
12R:R:E212 7.98554
13R:R:W214 11.2786754
14R:R:Y223 8.5325408
15R:R:F228 5.7775406
16R:R:Y243 5.26619
17R:R:F313 6.454519
18R:R:Y317 6.4125417
19R:R:I320 5.244537
20R:R:V329 3.6875405
21R:R:F333 8.1775484
22R:R:V342 4.985405
23R:R:H350 9.2525435
24R:R:W351 4.3125405
25R:R:Y354 7.036537
26R:R:Y364 6.09409
27R:R:F371 4.66143728
28R:R:F375 2.694527
29L:L:?1 9.731130
   

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:L108 R:R:Y61 10.90153.52YesNo077
2R:R:F65 R:R:L108 17.29554.87NoYes067
3R:R:F65 R:R:L69 13.55138.53NoNo066
4R:R:L69 R:R:T104 11.65752.95NoNo067
5R:R:F371 R:R:F375 12.16882.14YesYes287
6R:R:F371 R:R:N365 47.530214.5YesNo087
7R:R:I93 R:R:N365 59.97988.5NoNo087
8R:R:I93 R:R:Y364 61.26873.63NoYes089
9R:R:L145 R:R:Y364 57.89895.86YesYes099
10R:R:F313 R:R:L145 60.46953.65YesYes199
11R:R:F313 R:R:Y317 90.7337.22YesYes197
12R:R:V138 R:R:Y317 1003.79NoYes067
13L:L:?1 R:R:V138 99.8217.41YesNo006
14L:L:?1 R:R:H350 46.12626.01YesYes305
15R:R:H350 R:R:Y354 27.10257.62YesYes357
16R:R:L108 R:R:Y354 29.99718.21YesYes077
17R:R:N365 R:R:V75 14.37217.39NoNo079
18R:R:S97 R:R:V75 12.84566.46NoNo099
19R:R:F371 R:R:M85 24.71923.73YesYes288
20R:R:F313 R:R:M239 66.769911.2YesNo198
21R:R:M239 R:R:Y243 64.96265.99NoYes189
22R:R:R152 R:R:Y243 25.96498.23NoYes099
23R:R:I148 R:R:R152 24.43126.26NoNo089
24R:R:F92 R:R:I148 22.71753.77YesNo088
25R:R:L145 R:R:L96 23.40874.15YesNo199
26R:R:L96 R:R:T144 26.07295.9NoNo097
27R:R:N95 R:R:T144 23.27198.77NoNo097
28R:R:N95 R:R:W177 17.77075.65NoNo099
29R:R:D115 R:R:T111 19.41242.89NoNo057
30R:R:D115 R:R:I116 15.21462.8NoNo055
31R:R:I116 R:R:T117 13.08324.56NoNo055
32R:R:C127 R:R:M191 21.61583.24YesNo096
33R:R:E212 R:R:M191 23.49512.71YesNo046
34R:R:E212 R:R:Q187 58.33815.1YesNo046
35L:L:?1 R:R:Q187 76.31054.15YesNo006
36R:R:C127 R:R:C193 10.00143.64YesNo494
37R:R:C181 R:R:Y132 10.37595.38NoNo046
38R:R:I185 R:R:Y132 13.63054.84NoNo056
39R:R:I185 R:R:P186 15.60345.08NoNo056
40R:R:P186 R:R:Y223 17.525918.08NoYes068
41R:R:Q187 R:R:Y223 24.48884.51NoYes068
42R:R:S180 R:R:V136 10.21033.23NoNo085
43R:R:V140 R:R:W177 14.055318.39NoNo079
44R:R:S180 R:R:V140 10.77194.85NoNo087
45R:R:L306 R:R:Y243 60.70713.52NoYes089
46R:R:I246 R:R:L306 41.03542.85NoNo098
47R:R:I246 R:R:W153 37.95362.35NoYes098
48R:R:W153 R:R:Y154 16.90678.68YesYes084
49R:R:E212 R:R:W214 15.027414.17YesYes544
50R:R:W214 R:R:Y223 17.22356.75YesYes048
51R:R:E212 R:R:R328 30.16279.3YesNo544
52R:R:G215 R:R:W214 10.40471.41NoYes044
53R:R:V325 R:R:V329 12.13283.21NoYes065
54R:R:F228 R:R:V325 14.10576.55YesNo066
55R:R:F228 R:R:S321 19.93817.93YesNo066
56R:R:S321 R:R:Y232 21.85348.9NoNo068
57R:R:L318 R:R:Y232 23.36558.21NoNo068
58R:R:L318 R:R:P319 23.37994.93NoNo069
59R:R:I320 R:R:P319 19.72213.39YesNo079
60R:R:F313 R:R:L236 25.1083.65YesNo096
61R:R:L236 R:R:Y232 22.4155.86NoNo068
62R:R:V309 R:R:Y364 28.06028.83NoYes089
63R:R:V309 R:R:Y243 27.8373.79NoYes089
64R:R:L306 R:R:T302 22.2352.95NoNo088
65R:R:L250 R:R:T302 18.82924.42NoNo088
66R:R:L250 R:R:R299 17.21634.86NoNo088
67R:R:F348 R:R:W351 11.72964.01NoYes045
68R:R:F348 R:R:L352 13.09769.74NoNo048
69R:R:F346 R:R:K327 14.84016.2NoNo043
70R:R:K327 R:R:R328 31.372413.61NoNo034
71R:R:F333 R:R:K327 14.63137.44YesNo043
72R:R:I183 R:R:M184 10.81512.92NoYes057
73R:R:G60 R:R:W351 11.98882.81NoYes045
74R:R:L352 R:R:P319 14.8694.93NoNo089
75L:L:?1 R:R:I320 19.11727.78YesYes307
76L:L:?1 R:R:Q134 11.535123.85YesNo007
77R:R:H350 R:R:T111 17.799517.8YesNo357
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:C107 R:R:Q134 6.1 0 No No 7 7 2 1
R:R:C107 R:R:Y354 8.06 0 No Yes 7 7 2 2
R:R:H350 R:R:T111 17.8 3 Yes No 5 7 1 2
R:R:T111 R:R:Y354 6.24 3 No Yes 7 7 2 2
L:L:?1 R:R:V114 4.64 3 Yes No 0 5 0 1
R:R:I130 R:R:P131 5.08 0 No No 5 5 2 1
L:L:?1 R:R:Q134 23.85 3 Yes No 0 7 0 1
R:R:M184 R:R:T135 6.02 0 Yes No 7 6 2 1
L:L:?1 R:R:T135 9.19 3 Yes No 0 6 0 1
R:R:V138 R:R:Y317 3.79 0 No Yes 6 7 1 2
L:L:?1 R:R:V138 17.41 3 Yes No 0 6 0 1
R:R:M184 R:R:Y223 4.79 0 Yes Yes 7 8 2 2
R:R:F227 R:R:M184 4.98 0 No Yes 5 7 1 2
R:R:E212 R:R:Q187 5.1 5 Yes No 4 6 2 1
R:R:Q187 R:R:Y223 4.51 0 No Yes 6 8 1 2
L:L:?1 R:R:Q187 4.15 3 Yes No 0 6 0 1
L:L:?1 R:R:F227 9.49 3 Yes No 0 5 0 1
L:L:?1 R:R:T231 8.04 3 Yes No 0 6 0 1
R:R:I320 R:R:P319 3.39 3 Yes No 7 9 1 2
R:R:I320 R:R:N324 4.25 3 Yes No 7 7 1 1
R:R:I320 R:R:S349 6.19 3 Yes No 7 6 1 2
R:R:I320 R:R:V353 4.61 3 Yes No 7 7 1 2
L:L:?1 R:R:I320 7.78 3 Yes Yes 0 7 0 1
L:L:?1 R:R:N324 13.91 3 Yes No 0 7 0 1
R:R:H350 R:R:S349 5.58 3 Yes No 5 6 1 2
R:R:H350 R:R:Y354 7.62 3 Yes Yes 5 7 1 2
L:L:?1 R:R:H350 6.01 3 Yes Yes 0 5 0 1
R:R:V353 R:R:Y354 5.05 0 No Yes 7 7 2 2
R:R:A110 R:R:Q134 3.03 0 No No 4 7 2 1
L:L:?1 R:R:P131 2.56 3 Yes No 0 5 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 7SQO_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 3.21
Number of Linked Nodes 256
Number of Links 277
Number of Hubs 29
Number of Links mediated by Hubs 124
Number of Communities 8
Number of Nodes involved in Communities 40
Number of Links involved in Communities 48
Path Summary
Number Of Nodes in MetaPath 78
Number Of Links MetaPath 77
Number of Shortest Paths 36071
Length Of Smallest Path 3
Average Path Length 12.1008
Length of Longest Path 25
Minimum Path Strength 1.425
Average Path Strength 6.47889
Maximum Path Strength 23.255
Minimum Path Correlation 0.7
Average Path Correlation 0.926637
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 5.55556
Average % Of Corr. Nodes 49.1755
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 37.7021
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier• Transducin (heterotrimeric G protein), gamma chain   • WD40 repeat-like   • Ras-like P-loop GTPases   • G protein-coupled receptor-like
SCOP2Family Identifier• Transducin (heterotrimeric G protein), gamma chain   • WD40 repeat-like   • Ras-like P-loop GTPases   • 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 .
CodeA6F
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeA6F
NameDanavorexton
Synonyms
  • Methyl (2R,3S)-3-[(Methylsulfonyl)Amino]-2-{[(Cis-4-Phenylcyclohexyl)Oxy]Methyl}Piperidine-1-Carboxylate
  • 1-piperidinecarboxylic acid, 3-((methylsulfonyl)amino)-2-(((cis-4-phenylcyclohexyl)oxy)methyl)-, methyl ester, (2r,3s)-
  • Methyl (2r,3s)-3-((methylsulfonyl)amino)-2-(((cis-4-phenylcyclohexyl)oxy)methyl)piperidine-1-carboxylate
  • Danavorexton
Identifier
FormulaC21 H32 N2 O5 S
Molecular Weight424.554
SMILES
PubChem
Formal Charge0
Total Atoms61
Total Chiral Atoms2
Total Bonds63
Total Aromatic Bonds6

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtO43614
Sequence
>7SQO_nogp_Chain_R
WVLIAGYII VFVVALIGN VLVCVAVWK NHHMRTVTN YFIVNLSLA 
DVLVTITCL PATLVVDIT ETWFFGQSL CKVIPYLQT VSVSVSVLT 
LSCIALDRW YAICHPLMF KSTAKRARN SIVIIWIVS CIIMIPQAI 
VMECSTVCD ERWGGEIYP KMYHICFFL VTYMAPLCL MVLAYLQIF 
RKLWCRQII KQIRARRKT ARMLMVVLL VFAICYLPI SILNVLKRV 
FGMFRETVY AWFTFSHWL VYANSAANP IIYNFLSGK FREEFKAAF


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
5WQCAPeptideOrexinOX2Homo sapiensEMPA--1.962017-11-29doi.org/10.1016/j.str.2017.11.005
5WS3APeptideOrexinOX2Homo sapiensEMPA--2.32017-12-13doi.org/10.1016/j.str.2017.11.005
7XRRAPeptideOrexinOX2Homo sapiensLemborexant--2.892022-11-23doi.org/10.1016/j.str.2022.11.001
6TPGAPeptideOrexinOX2Homo sapiensEMPA--2.742020-01-01doi.org/10.1021/acs.jmedchem.9b01787
6TPJAPeptideOrexinOX2Homo sapiensSuvorexant--2.742020-01-01doi.org/10.1021/acs.jmedchem.9b01787
6TPNAPeptideOrexinOX2Homo sapiensHTL6641--2.612020-01-01doi.org/10.1021/acs.jmedchem.9b01787
4S0VAPeptideOrexinOX2Homo sapiensSuvorexant--2.52015-01-14doi.org/10.1038/nature14035
7L1UAPeptideOrexinOX2Homo sapiensOrexin-chim(NtGi1-Gs-CtGq)/β1/γ23.22021-02-10doi.org/10.1038/s41467-021-21087-6
7L1U (No Gprot) APeptideOrexinOX2Homo sapiensOrexin-3.22021-02-10doi.org/10.1038/s41467-021-21087-6
7L1VAPeptideOrexinOX2Homo sapiensPubChem 155491009-chim(NtGi1-Gs-CtGq)/β1/γ232021-02-10doi.org/10.1038/s41467-021-21087-6
7L1V (No Gprot) APeptideOrexinOX2Homo sapiensPubChem 155491009-32021-02-10doi.org/10.1038/s41467-021-21087-6
7SQOAPeptideOrexinOX2Homo sapiensTAK-925-Gi1/β1/γ23.172022-05-25doi.org/10.1038/s41467-022-30601-3
7SQO (No Gprot) APeptideOrexinOX2Homo sapiensTAK-925-3.172022-05-25doi.org/10.1038/s41467-022-30601-3
7SR8APeptideOrexinOX2Homo sapiensTAK-925-chim(NtGi1L-Gs-CtGq)/β1/γ23.32022-06-08doi.org/10.1038/s41467-022-30601-3
7SR8 (No Gprot) APeptideOrexinOX2Homo sapiensTAK-925-3.32022-06-08doi.org/10.1038/s41467-022-30601-3




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 7SQO_nogp.zip



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