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.

   

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.

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:D114 R:R:V87 7.3 1 Yes No 8 8 1 2
R:R:V91 R:R:W413 6.13 0 No Yes 8 8 1 2
L:L:?1 R:R:V91 10.14 1 Yes No 0 8 0 1
R:R:L94 R:R:W100 5.69 1 No Yes 7 9 2 2
R:R:C182 R:R:L94 3.17 1 Yes No 9 7 1 2
R:R:C107 R:R:W100 6.53 1 No Yes 9 9 2 2
R:R:C182 R:R:W100 14.37 1 Yes Yes 9 9 1 2
R:R:C107 R:R:C182 7.28 1 No Yes 9 9 2 1
R:R:I184 R:R:V111 3.07 0 No No 7 6 2 1
L:L:?1 R:R:V111 6.08 1 Yes No 0 6 0 1
R:R:C118 R:R:D114 3.11 1 No Yes 8 8 1 1
R:R:D114 R:R:Y416 4.6 1 Yes Yes 8 8 1 1
L:L:?1 R:R:D114 21.24 1 Yes Yes 0 8 0 1
R:R:S167 R:R:V115 4.85 0 No No 9 8 2 1
R:R:L170 R:R:V115 2.98 0 Yes No 8 8 2 1
L:L:?1 R:R:V115 3.04 1 Yes No 0 8 0 1
L:L:?1 R:R:C118 15.12 1 Yes No 0 8 0 1
R:R:F198 R:R:I122 5.02 1 Yes Yes 9 9 1 1
R:R:I122 R:R:P201 10.16 1 Yes No 9 9 1 2
R:R:F382 R:R:I122 7.54 1 Yes Yes 9 9 2 1
L:L:?1 R:R:I122 3.89 1 Yes Yes 0 9 0 1
R:R:E181 R:R:I183 8.2 0 No No 4 5 2 1
L:L:?1 R:R:C182 3.24 1 Yes Yes 0 9 0 1
R:R:F198 R:R:Y199 6.19 1 Yes No 9 7 1 2
R:R:F198 R:R:F390 28.94 1 Yes Yes 9 8 1 1
L:L:?1 R:R:F198 4.14 1 Yes Yes 0 9 0 1
R:R:F382 R:R:W386 8.02 1 Yes Yes 9 9 2 1
R:R:F389 R:R:W386 6.01 1 Yes Yes 8 9 1 1
R:R:G415 R:R:W386 12.67 0 No Yes 8 9 2 1
R:R:W386 R:R:Y416 3.86 1 Yes Yes 9 8 1 1
L:L:?1 R:R:W386 13.95 1 Yes Yes 0 9 0 1
R:R:F389 R:R:F390 3.22 1 Yes Yes 8 8 1 1
R:R:F389 R:R:H393 12.44 1 Yes No 8 8 1 2
R:R:F389 R:R:T412 6.49 1 Yes No 8 8 1 1
L:L:?1 R:R:F389 4.97 1 Yes Yes 0 8 0 1
L:L:?1 R:R:F390 9.12 1 Yes Yes 0 8 0 1
L:L:?1 R:R:T412 4.01 1 Yes No 0 8 0 1
R:R:W413 R:R:Y416 8.68 0 Yes Yes 8 8 2 1
L:L:?1 R:R:Y416 4.79 1 Yes Yes 0 8 0 1
R:R:F390 R:R:S194 2.64 1 Yes No 8 8 1 2
L:L:?1 R:R:I183 1.94 1 Yes No 0 5 0 1
R:R:A185 R:R:I183 1.62 0 No No 7 5 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 7DFP
Class A
SubFamily Amine
Type Dopamine
SubType D2
Species Homo sapiens
Ligand Spiperone
Other Ligand(s) -
Protein Partners -
PDB Resolution 3.1
Date 2020-12-30
D.O.I. 10.1038/s41467-020-20221-0
Net Summary
Imin 2.95
Number of Linked Nodes 245
Number of Links 271
Number of Hubs 31
Number of Links mediated by Hubs 118
Number of Communities 6
Number of Nodes involved in Communities 39
Number of Links involved in Communities 56
Path Summary
Number Of Nodes in MetaPath 89
Number Of Links MetaPath 88
Number of Shortest Paths 40344
Length Of Smallest Path 3
Average Path Length 12.1849
Length of Longest Path 28
Minimum Path Strength 1.385
Average Path Strength 6.68108
Maximum Path Strength 18.425
Minimum Path Correlation 0.7
Average Path Correlation 0.909217
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 4.54545
Average % Of Corr. Nodes 42.4563
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 41.7587
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier
SCOP2Family Identifier
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 .
CodeSIP
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeSIP
NameSpiperone
SynonymsSpiperone
Identifier8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
FormulaC23 H26 F N3 O2
Molecular Weight395.47
SMILESc1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
PubChem5265
Formal Charge0
Total Atoms55
Total Chiral Atoms0
Total Bonds58
Total Aromatic Bonds12

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP14416
Sequence
>7DFP_Chain_R
NYYATLLTL LIAVIVFGN VLVCMAVSR EKALQTTTN YLIVSLAVA 
DLLVATLVM PWVVYLEVV GEWKFSRIH CDIFVTLDV MMCTAKIWN 
LCAISIDRY TAVAMPMSK RRVTVMISI VWVLSFTIS CPLLFGLNN 
ADQNECIIA NPAFVVYSS IVSFYVPFI VTLLVYIKI YIVLSQQKE 
KKATQMLAI VLGVFIICW LPFFITHIL NIHCDCNIP PVLYSAFTW 
LGYVNSAVN PIIYTTFNI EFRKAFLKI LH


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 network is also present in following consensuses:
IdComponents
d2_off6CM4-D2-Risperidone
6LUQ-D2-Haloperidol
7DFP-D2-Spiperone

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
6CM4AAmineDopamineD2Homo sapiensRisperidone--2.872018-03-1410.1038/nature25758
6LUQAAmineDopamineD2Homo sapiensHaloperidol--3.12020-03-0410.1038/s41467-020-14884-y
6VMSAAmineDopamineD2Homo sapiensBromoergocryptine-Gi1/&β;1/&γ;23.82020-06-1710.1038/s41586-020-2379-5
7JVRAAmineDopamineD2Homo sapiensBromoergocryptine-Gi1/&β;1/&γ;22.82021-02-2410.1016/j.cell.2021.01.027
8IRSAAmineDopamineD2Homo sapiensRotigotine-Gi1/&β;1/&γ;232023-06-0710.1038/s41422-023-00808-0
6D26ALipidProstanoidDP2Homo sapiensFevipiprant--2.82018-10-0310.1016/j.molcel.2018.08.009
6D27ALipidProstanoidDP2Homo sapiensCAY10471--2.742018-10-0310.1016/j.molcel.2018.08.009
7M8WALipidProstanoidDP2Homo sapiens15r-Methyl-Prostaglandin D2Na-2.612021-08-2510.1073/pnas.2102813118
6ORVB1PeptideGlucagonGLP-1Homo sapiens-TT-OAD2Gs/&β;1/&γ;232020-01-0810.1038/s41586-019-1902-z
7TD2ALipidLysophospholipid (LPA)LPA1Homo sapiensLPA-Gi1/&β;1/&γ;23.112022-02-0910.1038/s41467-022-28417-2
8JD2CAminoacidMetabotropic glutamatemGlu2; mGlu3Homo sapiensGlutamate--2.82023-06-2110.1038/s41422-023-00830-2




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 7DFP.zip



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