Structure of PDB 6uzy Chain B Binding Site BS01

Receptor Information
>6uzy Chain B (length=278) Species: 8364 (Xenopus tropicalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YKGLRLELAVDKLVSCIAVGLPLLLISLAFAQEITLGSQISCFAPTSFSW
RQAAYVDSFCWAALWLHKFFPYILLLVAVLLYLPNLFWRFTAAPHLSSDL
KFVMEELDKCYNRDIKDIKAAPIVEQYLKTKNNSYGLIIKYLICRVVTLI
IVFTACIYLGYYISLFSLTDEFTCNIRTGILRNDTALPPLVQCKLIAVGV
FRLLSYINLIIYVLIMPFIIYAMLVPFRKTANVLKVYEVLPTFSKTYDDH
SLFLLFLEENVSELKSYKFLKVLENIKN
Ligand information
Ligand ID6OU
InChIInChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC39 H76 N O8 P
Name[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000008437520
PDB chain6uzy Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6uzy Cryo-EM structures of the ATP release channel pannexin 1.
Resolution3.38 Å
Binding residue
(original residue number in PDB)		L37 I41 F292 Y295 R302
Binding residue
(residue number reindexed from 1)		L13 I17 F218 Y221 R228
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015267 channel activity
GO:0042802 identical protein binding
Biological Process
GO:0006812 monoatomic cation transport
GO:0032732 positive regulation of interleukin-1 production
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0005921 gap junction
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6uzy, PDBe:6uzy, PDBj:6uzy
PDBsum6uzy
PubMed32231289
UniProtB3DLA5

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