Structure of PDB 4f8o Chain A Binding Site BS02

Receptor Information
>4f8o Chain A (length=138) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNTFHVDFAPNTGEIFAGKQPGDVTMFTLTMGDTAPHGGWRLIPTGDSKG
GYMISADGDYVGLYSYMMSWVGIDNNWYINDDSPKDIKDHLYVKAGTVLK
PTTYKFTGRVEEYVFDNKQSTVINSKDVSGEVTVKQGL
Ligand information
Ligand IDAES
InChIInChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKeyMGSKVZWGBWPBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(F)(=O)c1ccc(cc1)CCN
OpenEye OEToolkits 1.7.6c1cc(ccc1CCN)S(=O)(=O)F
CACTVS 3.370NCCc1ccc(cc1)[S](F)(=O)=O
FormulaC8 H10 F N O2 S
Name4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE;
AEBSF
ChEMBLCHEMBL1096339
DrugBankDB07347
ZINCZINC000008034834
PDB chain4f8o Chain A Residue 205 [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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PDB4f8o Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G50 Y52 G62 L63 Y64 W70
Binding residue
(residue number reindexed from 1)		G50 Y52 G62 L63 Y64 W70
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4f8o, PDBe:4f8o, PDBj:4f8o
PDBsum4f8o
PubMed23277582
UniProtP31522|PSAA_YERPE pH 6 antigen (Gene Name=psaA)

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