Structure of PDB 3zx7 Chain A Binding Site BS01

Receptor Information
>3zx7 Chain A (length=296) Species: 6396 (Eisenia fetida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEGYEQIEVDVVAVWKEGYVYENRGSTSVDQKITITKGMKNVNSETRTVT
ATHSIGSTISTGDAFEIGSVEVSYSHSHEESQVSMTETEVYESKVIEHTI
TIPPTSKFTRWQLNADVGGADIEYMYLIDEVTPIGGTQSIPQVITSRAKI
IVGRQIILGKTEIRIKHAERKEYMTVVSRKSWPAATLGHSKLFKFVLYED
WGGFRIKTLNTMYSGYEYAYSSDQGGIYFDQGTDNPKQRWAINKSLPLRH
GDVVTFMNKYFTRSGLCYDDGPATNVYCLDKREDKWILEVVGLVPR
Ligand information
Ligand IDPC
InChIInChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKeyYHHSONZFOIEMCP-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC[N+](C)(C)C
CACTVS 3.341C[N+](C)(C)CCO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCOP(=O)(O)O
FormulaC5 H15 N O4 P
NamePHOSPHOCHOLINE
ChEMBLCHEMBL1235161
DrugBankDB03945
ZINCZINC000001532692
PDB chain3zx7 Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zx7 Structures of Lysenin Reveal a Shared Evolutionary Origin for Pore-Forming Proteins and its Mode of Sphingomyelin Recognition.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		R184 K185 S227 Q229 Y233 P277 Y282
Binding residue
(residue number reindexed from 1)		R179 K180 S222 Q224 Y228 P272 Y277
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006811 monoatomic ion transport
GO:0031640 killing of cells of another organism
GO:0035821 modulation of process of another organism
GO:0042742 defense response to bacterium
Cellular Component
GO:0005576 extracellular region
GO:0016020 membrane
GO:0044218 other organism cell membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3zx7, PDBe:3zx7, PDBj:3zx7
PDBsum3zx7
PubMed22819216
UniProtO18423|TXL_EISFE Lysenin

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