Structure of PDB 7f8n Chain E Binding Site BS03

Receptor Information
>7f8n Chain E (length=309) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDFLLKEPTEPKFKGLRLELAVDKMVTCIAVGLPLLLISLAFAQEISIGT
QISCFSPSSFSWRQAAFVDSYCWAAVQQKNSLQSGNLPLWLHKFFPYILL
LFAILLYLPPLFWRFAAAPHICSDLKFIMEELDKVYNRAIKAAKSAKYPI
VEQYLKTKKNSNNLIIKYISCRLLTLIIILLACIYLGYYFSLSSLSDEFV
CSIKSGILRNDSTVPDQFQCKLIAVGIFQLLSVINLVVYVLLAPVVVYTL
FVPFRQKTDVLKVYEILPTFLHFKSEGYNDLSLYNLFLEENISEVKSYKC
LKVLENIKS
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 chain7f8n Chain E 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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PDB7f8n Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		V34 P289 V292 Y293 R300 E336 E337
Binding residue
(residue number reindexed from 1)		V22 P244 V247 Y248 R255 E289 E290
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7f8n, PDBe:7f8n, PDBj:7f8n
PDBsum7f8n
PubMed35133866
UniProtQ96RD7|PANX1_HUMAN Pannexin-1 (Gene Name=PANX1)

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