Structure of PDB 3zxg Chain A Binding Site BS01

Receptor Information
>3zxg Chain A (length=293) Species: 6396 (Eisenia fetida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAEGYEQIEVDVVAVWKEGYVYENRGSTSVDQKITITKGMKNVNSETRTV
TATHSIGSTISTGDAFEIGSVEVSYSHSHEESQVSMTETEVYESKVIEHT
ITIPPTSKFTRWQLNADVGGADIEYMYLIDEVTPIGGTQSIPQVITSRAK
IIVGRQIILGKTEIRIKHAERKEYMTVVSRKSWPAATLGHSKLFKFVLYE
DWGGFRIKTLNTMYSGYEYAYSSDQGGIYFDQGTDNPKQRWAINKSLPLR
HGDVVTFMNKYFTRSGLCYDDGPATNVYCLDKREDKWILEVVG
Ligand information
Ligand ID0SM
InChIInChI=1S/C27H57N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)28-26(25(2)30)24-35-36(32,33)34-23-22-29(3,4)5/h25-26,30H,6-24H2,1-5H3,(H-,28,31,32,33)/p+1/t25-,26-/m0/s1
InChIKeyHJYAGZCWSLDECN-UIOOFZCWSA-O
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)N[CH](CO[P](O)(=O)OCC[N+](C)(C)C)[CH](C)O
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P](O)(=O)OCC[N+](C)(C)C)[C@H](C)O
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(C)O
ACDLabs 12.01O=P(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)C)(OCC[N+](C)(C)C)O
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](C)O
FormulaC27 H58 N2 O6 P
NameTRIMETHYL-[2-[[(2S,3S)-2-(OCTADECANOYLAMINO)-3-OXIDANYL-BUTOXY]-OXIDANYL-PHOSPHORYL]OXYETHYL]AZANIUM;
N-OCTADECANOYL-D-ERYTHRO-SPHINGOSYLPHOSPHORYLCHOLINE
ChEMBL
DrugBank
ZINCZINC000098207863
PDB chain3zxg Chain A Residue 943 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zxg Structures of Lysenin Reveal a Shared Evolutionary Origin for Pore-Forming Proteins and its Mode of Sphingomyelin Recognition.
Resolution3.12 Å
Binding residue
(original residue number in PDB)		G23 Y24 V25 E27 G30 S31
Binding residue
(residue number reindexed from 1)		G19 Y20 V21 E23 G26 S27
Annotation score1
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:3zxg, PDBe:3zxg, PDBj:3zxg
PDBsum3zxg
PubMed22819216
UniProtO18423|TXL_EISFE Lysenin

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