Structure of PDB 4f8n Chain A Binding Site BS01

Receptor Information
>4f8n Chain A (length=137) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTFHVDFAPNTGEIFAGKQPGDVTMFTLTMGDTAPHGGWRLIPTGDSKGG
YMISADGDYVGLYSYMMSWVGIDNNWYINDDSPKDIKDHLYVKAGTVLKP
TTYKFTGRVEEYVFDNKQSTVINSKDVSGEVTVKQGL
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 chain4f8n Chain A Residue 202 [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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PDB4f8n Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis.
Resolution2.501 Å
Binding residue
(original residue number in PDB)		Y52 G62 Y64
Binding residue
(residue number reindexed from 1)		Y51 G61 Y63
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4f8n, PDBe:4f8n, PDBj:4f8n
PDBsum4f8n
PubMed23277582
UniProtP31522|PSAA_YERPE pH 6 antigen (Gene Name=psaA)

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