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:N60 5.988529
2R:R:F76 4.3509
3R:R:M98 3.555406
4R:R:Y118 6.2975446
5R:R:F125 3.67407
6R:R:I130 6.5475418
7R:R:Y141 8.4475408
8R:R:Y150 6.7225407
9R:R:R153 5.2125405
10R:R:Y216 8.592506
11R:R:P220 4.0525419
12R:R:Q295 4.7275416
13R:R:F296 7.1625419
14R:R:C299 4.015408
15R:R:F304 7.4407
16R:R:F306 5.4625405
17R:R:W328 7.616505
18R:R:Y331 7.528548
19R:R:Y341 5.19833619
20R:R:I348 4.4625408
21W:W:?1 7.625711410
   

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:M49 R:R:W328 11.533920.94NoYes065
2R:R:A56 R:R:T335 10.35815.03NoNo076
3R:R:A56 R:R:N60 12.23941.56NoYes279
4R:R:D86 R:R:N60 19.871714.81NoYes299
5R:R:D86 R:R:F334 27.6755.97NoNo099
6R:R:A89 R:R:F334 31.28812.77NoNo079
7R:R:A89 R:R:F125 33.06254.16NoYes077
8R:R:C124 R:R:F125 51.13844.19NoYes057
9R:R:A170 R:R:C124 54.11011.81NoNo085
10R:R:A170 R:R:S127 66.42443.42NoNo087
11R:R:S127 R:R:Y216 67.52548.9NoYes076
12R:R:F212 R:R:Y216 71.619518.57NoYes066
13R:R:F212 R:R:F304 57.29565.36NoYes067
14R:R:F304 R:R:Y303 53.32987.22YesNo077
15R:R:T327 R:R:Y303 50.28338.74NoNo067
16R:R:T327 R:R:Y331 49.096712.48NoYes068
17R:R:W328 R:R:Y331 41.36834.82YesYes058
18R:R:F80 R:R:I67 10.51848.79NoNo057
19R:R:I67 R:R:V79 10.98881.54NoNo078
20R:R:Q295 R:R:Y341 96.50456.76YesYes169
21R:R:F296 R:R:Q295 99.8613.51YesYes196
22R:R:F296 R:R:I130 95.12563.77YesYes198
23R:R:I130 R:R:Y216 1008.46YesYes086
24R:R:Y341 W:W:?1 83.91235.1YesYes190
25R:R:R140 W:W:?1 31.982914.35NoYes090
26R:R:F76 R:R:R140 17.27425.34YesNo099
27R:R:F76 R:R:L73 17.95833.65YesNo098
28R:R:L73 R:R:P71 20.1713.28NoNo086
29R:R:P71 R:R:T70 10.12291.75NoNo066
30R:R:N345 W:W:?1 29.99478.53NoYes090
31R:R:F76 R:R:N345 15.47843.62YesNo099
32R:R:I348 R:R:N345 15.04018.5YesNo089
33R:R:F76 R:R:K75 10.80714.96YesNo097
34R:R:E139 R:R:R140 19.47628.14NoNo099
35R:R:E139 R:R:Y150 15.39285.61NoYes097
36R:R:H81 R:R:W167 10.34745.29NoNo099
37R:R:L128 R:R:W167 12.36779.11NoNo079
38R:R:A170 R:R:L128 16.32283.15NoNo087
39R:R:F125 R:R:T92 18.59973.89YesNo075
40R:R:F120 R:R:L121 13.89633.65NoNo065
41R:R:L121 R:R:T92 17.04972.95NoNo055
42R:R:V227 W:W:?1 26.28544.63NoYes050
43R:R:V227 R:R:Y141 25.0247.57NoYes058
44R:R:Y141 R:R:Y142 14.96535.96YesNo085
45R:R:R153 R:R:Y150 13.4585.14YesYes057
46R:R:R153 R:R:Y142 10.39028.23YesNo055
47R:R:L158 R:R:R153 10.76434.86NoYes065
48R:R:F208 R:R:M173 19.48696.22NoNo086
49R:R:F212 R:R:M173 20.97273.73NoNo066
50R:R:F208 R:R:P177 15.54255.78NoNo586
51R:R:C205 R:R:V209 11.67291.71NoNo066
52R:R:C205 R:R:P177 13.65051.88NoNo066
53R:R:F340 R:R:Q295 15.59594.68NoYes086
54R:R:F306 R:R:V326 10.37959.18YesNo055
55R:R:E323 R:R:F306 18.23623.5NoYes045
56R:R:E323 R:R:S324 20.19242.87NoNo045
57R:R:S324 R:R:W328 22.10584.94NoYes055
58R:R:C333 R:R:S336 11.91885.16NoNo095
59R:R:F340 R:R:S336 13.9075.28NoNo085
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:F76 R:R:R140 5.34 0 Yes No 9 9 2 1
R:R:F76 R:R:N345 3.62 0 Yes No 9 9 2 1
R:R:L82 R:R:Y341 3.52 0 No Yes 9 9 2 1
R:R:N337 R:R:V133 4.43 1 No No 9 8 2 2
R:R:V133 R:R:Y341 8.83 1 No Yes 8 9 2 1
R:R:I224 R:R:N137 5.66 1 No No 8 8 1 1
R:R:N137 R:R:Y341 3.49 1 No Yes 8 9 1 1
R:R:N137 W:W:?1 10.24 1 No Yes 8 0 1 0
R:R:E139 R:R:R140 8.14 0 No No 9 9 2 1
R:R:R140 W:W:?1 14.35 0 No Yes 9 0 1 0
R:R:V227 R:R:Y141 7.57 0 No Yes 5 8 1 2
R:R:I224 W:W:?1 5.32 1 No Yes 8 0 1 0
R:R:V227 W:W:?1 4.63 0 No Yes 5 0 1 0
R:R:L289 R:R:Y228 14.07 0 No No 8 9 2 1
R:R:Y228 W:W:?1 3.64 0 No Yes 9 0 1 0
R:R:A285 R:R:M231 3.22 0 No No 8 9 2 1
R:R:M231 W:W:?1 6.15 0 No Yes 9 0 1 0
R:R:V288 W:W:?1 25 0 No Yes 9 0 1 0
R:R:G293 R:R:V292 3.68 0 No No 7 8 2 1
R:R:V292 W:W:?1 6.48 0 No Yes 8 0 1 0
R:R:N337 R:R:Q295 3.96 1 No Yes 9 6 2 2
R:R:Q295 R:R:Y341 6.76 1 Yes Yes 6 9 2 1
R:R:N337 R:R:Y341 3.49 1 No Yes 9 9 2 1
R:R:Y341 W:W:?1 5.1 1 Yes Yes 9 0 1 0
R:R:C343 R:R:L344 3.17 0 No No 5 7 2 1
R:R:L344 W:W:?1 11.18 0 No Yes 7 0 1 0
R:R:I348 R:R:N345 8.5 0 Yes No 8 9 2 1
R:R:N345 W:W:?1 8.53 0 No Yes 9 0 1 0
R:R:A291 W:W:?1 2.94 0 No Yes 7 0 1 0
R:R:R346 W:W:?1 2.27 0 No Yes 7 0 1 0
R:R:I224 R:R:L225 1.43 1 No No 8 4 1 2
R:R:V287 W:W:?1 0.93 0 No Yes 7 0 1 0

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

ShowSimilarityNetwork TypeNameLigandDescription
38.89Single8XQLAristolochic acid A8XQL-TAS2R14-Cholesterol-Aristolochic acid A-Gt3/β1/γ1
35.29Single8XQRFlufenamic acid8XQR-TAS2R14-Flufenamic acid-Gt3/β1/γ1
33.33Single8RQLFlufenamic acid8RQL-TAS2R14-Flufenamic acid-Flufenamic acid-chim(NtGi1-Gt3)/β1/γ2
33.33Single8XQOAristolochic acid A8XQO-TAS2R14-Cholesterol-Aristolochic acid A-Gi1/β1/γ1
33.33Single8XQSFlufenamic acid8XQS-TAS2R14-Cholesterol-Flufenamic acid-Gi1/β1/γ1
33.33Single8ZYUSBI-5538ZYU-NTS1-Neurotensin peptide 8-13-SBI-553-Arrestin2
33.33Single8ZYYSBI-5538ZYY-NTS1-Neurotensin peptide 8-13-SBI-553-Arrestin2
31.58Single5XF1NNC06405XF1-Glucagon-NNC0640
31.25Single5EE7MK08935EE7-Glucagon-MK0893
29.41Single5VEXNNC06405VEX-GLP-1-NNC0640
29.41Single6KK7PF-063722226KK7-GLP-1-PF-06372222
29.17Single8ZYTSBI-5538ZYT-NTS1-Neurotensin peptide 8-13-SBI-553-Arrestin2
27.78Single5VEWPF-063722225VEW-GLP-1-PF-06372222
27.78Single6KJVPF-063722226KJV-GLP-1-PF-06372222
27.78Single6KK1PF-063722226KK1-GLP-1-PF-06372222
27.78Single8XQNAristolochic acid A8XQN-TAS2R14-Cholesterol-Aristolochic acid A-Gi1/β1/γ1
26.32Single5XEZNNC06405XEZ-Glucagon-NNC0640
26.09Single6LN2PF-063722226LN2-GLP-1-PF-06372222
25.00Single8JPFSBI-5538JPF-NTS1-Neurotensin-SBI-553
24.00Single8FN0SBI-5538FN0-NTS1-Neurotensin/Neuromedin-N-SBI-553-chim(NtGi1-Go)/β1/γ2
22.73Single8JPBSBI-553; GDP; Mg8JPB-NTS1-Neurotensin-(8-13)-SBI-553; GDP; Mg-Gq; GRK2
22.22Single7CA3rac-BHFF7CA3-GABAB1, GABAB2-rac-BHFF
21.74Single5LWEVercirnon5LWE-CCR9-Vercirnon
21.05Single7C7QBHFF7C7Q-GABAB1, GABAB2-Baclofen-BHFF
19.05Single8JPCSBI-553; GDP; Mg8JPC-NTS1-Neurotensin-(8-13)-SBI-553; GDP; Mg-Gq; GRK2
17.65Single7EB2rac-BHFF7EB2-GABAB2; GABAB1-Baclofen-rac-BHFF-Gi1/β1/γ2
17.39Single8J20AR4206268J20-FFA3-Valeric acid-AR420626-Gi1/β1/γ2
16.67Single8JR9PCO3718JR9-PTH1-PCO371-chim(NtGi1-Gs)/β1/γ2
16.67Single8XQPAristolochic acid A8XQP-TAS2R14-Cholesterol-Aristolochic acid A-Gt3/β1/γ1
15.79Single5T1APubChem 120931705T1A-CCR2-BMS-681-PubChem 12093170
14.29Single5X7DCmpd-155X7D-β2-S-Carazolol-Cmpd-15
13.64Single4Z9GCP-3763954Z9G-CRF1-CP-376395
13.04Single6LFLPubChem 1534669966LFL-CXCR2-PubChem 153466996
13.04Single8GTGBMK-I1528GTG-CRF1-BMK-I152
13.04Single8GW8PCO3718GW8-PTH1-PCO371-Gs/β1/γ2
12.50Single4PXFOctyl-Beta-D-Glucopyranoside4PXF-Rhodopsin-Octyl-β-D-Glucopyranoside-Arrestin1 Finger Loop
10.00Single8HNNSCH5467388HNN-CXCR3-SCH546738
9.52Single4K5YCP-3763954K5Y-CRF1-CP-376395
8.70Single6QZHCmp2105; Na6QZH-CCR7-Cmp2105; Na
8.70Single8GTIBMK-C2058GTI-CRF1-BMK-C205
7.69Single8GTMBMK-C2038GTM-CRF1-BMK-C203
5.88Single3VG9Antibody3VG9-A2A-ZM-241385-Antibody
5.88Single6UO8GS397836UO8-GABAB1, GABAB2-SKF97541-GS39783
5.88Single7DUQPubChem 1560227387DUQ-GLP-1-GLP-1-PubChem 156022738-Gs/β1/γ2
5.56Single9JCQLPC9JCQ-GPR4-LPC-chim(NtGi1-Gs)/β1/γ2
5.41Single3VGAAntibody3VGA-A2A-ZM-241385-Antibody
5.00Single8Y6W4-CMTB8Y6W-FFA2-TUG-1375-4-CMTB-Gi1/β1/γ2
5.00Single9JCPLPC9JCP-GPR4-LPC-chim(NtGi1-Gs-CtGq)/β1/γ2
4.76Single9JCOLPC9JCO-GPR4-LPC-chim(NtGi1-Gs)/β1/γ2
4.55Single9CLW4-CMTB9CLW-FFA2-TUG-1375-4-CMTB-chim(NtGi1L-Gs-CtGq)/β1/γ2
4.35Single8XQLAristolochic acid A8XQL-TAS2R14-Cholesterol-Aristolochic acid A-Gt3/β1/γ1
4.17Single6C1RAvacopan; Na6C1R-C5a1-PMX53-Avacopan; Na
4.17Single7RBTLSN35566727RBT-GIP-Tirzepatide-LSN3556672-chim(NtGi1-Gs)/β1/γ2

PDB Summary
PDB 8TB7
Class A
SubFamily Orphan
Type Orphan
SubType GPR61
Species Homo Sapiens
Ligand -
Other Ligand(s) PubChem 168510218
Protein Partners -
PDB Resolution 2.94
Date 2023-10-04
D.O.I. doi.org/10.1038/s41467-023-41646-3
Net Summary
Imin 3.15
Number of Linked Nodes 187
Number of Links 198
Number of Hubs 21
Number of Links mediated by Hubs 91
Number of Communities 5
Number of Nodes involved in Communities 25
Number of Links involved in Communities 31
Path Summary
Number Of Nodes in MetaPath 60
Number Of Links MetaPath 59
Number of Shortest Paths 17832
Length Of Smallest Path 3
Average Path Length 12.7915
Length of Longest Path 27
Minimum Path Strength 1.35
Average Path Strength 6.04395
Maximum Path Strength 17.62
Minimum Path Correlation 0.7
Average Path Correlation 0.907106
Maximum Path Correlation 0.98
Minimum % Of Corr. Nodes 5
Average % Of Corr. Nodes 35.8805
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 41.1778
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function• binding   • tetrapyrrole binding   • heme binding   • electron transfer activity   • cation binding   • transition metal ion binding   • iron ion binding   • ion binding   • metal ion binding   • small molecule binding   • protein binding   • arrestin family protein binding   • molecular transducer activity   • G protein-coupled receptor activity   • transmembrane signaling receptor activity   • signaling receptor activity   • electron transport chain   • metabolic process   • cellular process   • generation of precursor metabolites and energy   • cellular response to stimulus   • regulation of biological process   • regulation of cellular process   • response to stimulus   • signaling   • biological regulation   • G protein-coupled receptor signaling pathway   • signal transduction   • cell communication   • signal transduction in absence of ligand
Gene OntologyBiological Process• electron transport chain   • metabolic process   • cellular process   • generation of precursor metabolites and energy   • cellular response to stimulus   • regulation of biological process   • regulation of cellular process   • response to stimulus   • signaling   • biological regulation   • G protein-coupled receptor signaling pathway   • signal transduction   • cell communication   • signal transduction in absence of ligand   • ligand-independent adenylate cyclase-activating G protein-coupled receptor signaling pathway   • adenylate cyclase-activating G protein-coupled receptor signaling pathway   • adenylate cyclase-modulating G protein-coupled receptor signaling pathway   • cellular anatomical structure   • periplasmic space   • protein-containing complex   • receptor complex   • endosome membrane   • membrane-bounded organelle   • intracellular anatomical structure   • membrane   • endosome   • intracellular vesicle   • intracellular membrane-bounded organelle   • endomembrane system   • intracellular organelle   • cytoplasmic vesicle membrane
Gene OntologyCellular Component• cellular anatomical structure   • periplasmic space   • protein-containing complex   • receptor complex   • endosome membrane   • membrane-bounded organelle   • intracellular anatomical structure   • membrane   • endosome   • intracellular vesicle   • intracellular membrane-bounded organelle   • endomembrane system   • intracellular organelle   • cytoplasmic vesicle membrane   • bounding membrane of organelle   • vesicle membrane   • cytoplasmic vesicle   • organelle   • cytoplasm   • vesicle   • organelle membrane   • cell periphery   • plasma membrane
SCOP2Domain Identifier• Cytochromes
SCOP2Family Identifier• Cytochromes
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 .
CodeZOB
PDB ResiduesW:W:?1
Environment DetailsOpen EMBL-EBI Page
CodeZOB
Name6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide
Synonyms
Identifier
FormulaC22 H26 F2 N6 O5 S
Molecular Weight524.541
SMILES
PubChem168510218
Formal Charge0
Total Atoms62
Total Chiral Atoms0
Total Bonds64
Total Aromatic Bonds18

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtQ9BZJ8
Sequence
>8TB7_Chain_R
SVALFFMLL LDLTAVAGN AAVMAVIAK TPALRKFVF VFHLCLVDL 
LAALTLMPL AMLGEVACR LYLFLSVCF VSLAILSVS AINVERYYY 
VVHPMRYEV RMTLGLVAS VLVGVWVKA LAMASVPVL CQLFVVVFA 
VLYFLLPLL LILVVYCSM FRKAAVVLL AVGGQFLLC WLPYFSFHL 
YVAQVESVV TWIGYFCFT SNPFFYGCL NRQIRG


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
8TB7AOrphanOrphanGPR61Homo sapiens-PubChem 168510218-2.942023-10-04doi.org/10.1038/s41467-023-41646-3
8TB0AOrphanOrphanGPR61Homo sapiens--chim(NtGi1-Gs)/β1/γ23.472023-10-04doi.org/10.1038/s41467-023-41646-3
8TB0 (No Gprot) AOrphanOrphanGPR61Homo sapiens--3.472023-10-04doi.org/10.1038/s41467-023-41646-3
8KGKAOrphanOrphanGPR61Homo sapiens--Gs/β1/γ23.162023-10-11doi.org/10.1038/s41467-023-41654-3
8KGK (No Gprot) AOrphanOrphanGPR61Homo sapiens--3.162023-10-11doi.org/10.1038/s41467-023-41654-3




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).

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