Structure of PDB 7f8j Chain B Binding Site BS04

Receptor Information
>7f8j Chain B (length=320) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIAQLATEYVFSDFLLKEPTEPKFKGLRLELAVDKMVTCIAVGLPLLLIS
LAFAQEISIGTQISCFSPSSFSWRQAAFVDSYCWAAVQQKNSLQSESGNL
PLWLHKFFPYILLLFAILLYLPPLFWRFAAAPHICSDLKFIMEELDKVYN
RAIKAAKPIVEQYLKTKKNSNNLIIKYISCRLLTLIIILLACIYLGYYFS
LSSLSDEFVCSIKSGILRNDSTVPDQFQCKLIAVGIFQLLSVINLVVYVL
LAPVVVYTLFVPFRQKTDVLKVYEILPTFDVLHFKSEGYNDLSLYNLFLE
ENISEVKSYKCLKVLENIKS
Ligand information
Ligand IDLBN
InChIInChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChIKeyWTJKGGKOPKCXLL-VYOBOKEXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 12.01C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O
FormulaC42 H82 N O8 P
Name1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine;
(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
ChEMBL
DrugBank
ZINC
PDB chain7f8j Chain B Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7f8j Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		L101 W104 Y111
Binding residue
(residue number reindexed from 1)		L100 W103 Y110
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0002020 protease binding
GO:0003779 actin binding
GO:0005102 signaling receptor binding
GO:0005198 structural molecule activity
GO:0005243 gap junction channel activity
GO:0005253 monoatomic anion channel activity
GO:0005262 calcium channel activity
GO:0005347 ATP transmembrane transporter activity
GO:0005515 protein binding
GO:0015267 channel activity
GO:0022829 wide pore channel activity
GO:0022840 leak channel activity
GO:0044325 transmembrane transporter binding
GO:0044877 protein-containing complex binding
GO:0051015 actin filament binding
GO:0055077 gap junction hemi-channel activity
GO:0097110 scaffold protein binding
Biological Process
GO:0002931 response to ischemia
GO:0006812 monoatomic cation transport
GO:0006816 calcium ion transport
GO:0007267 cell-cell signaling
GO:0015867 ATP transport
GO:0030154 cell differentiation
GO:0032730 positive regulation of interleukin-1 alpha production
GO:0032731 positive regulation of interleukin-1 beta production
GO:0032732 positive regulation of interleukin-1 production
GO:0033198 response to ATP
GO:0048477 oogenesis
GO:0060907 positive regulation of macrophage cytokine production
GO:0070588 calcium ion transmembrane transport
GO:0098656 monoatomic anion transmembrane transport
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0005921 gap junction
GO:0016020 membrane
GO:0032059 bleb
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7f8j, PDBe:7f8j, PDBj:7f8j
PDBsum7f8j
PubMed35133866
UniProtQ96RD7|PANX1_HUMAN Pannexin-1 (Gene Name=PANX1)

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