Structure of PDB 2pdo Chain B Binding Site BS01

Receptor Information
>2pdo Chain B (length=141) Species: 198215 (Shigella flexneri 2a str. 2457T) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIRVFRQEDFEEVITLWERCDLLRPWNDPEMDIERKMNHDVSLFLVAEV
NGEVVGTVMGGYDGHRGSAYYLGVHPEFRGRGIANALLNRLEKKLIARGC
PKIQINVPEDNDMVLGMYERLGYEHADVLSLGKRLIEDEEY
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2pdo Chain B Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2pdo Crystal Structure of the Putative Acetyltransferase of GNAT Family from Shigella flexneri
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E9 E12 E13
Binding residue
(residue number reindexed from 1)		E9 E12 E13
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

View graph for
Molecular Function
External links
PDB RCSB:2pdo, PDBe:2pdo, PDBj:2pdo
PDBsum2pdo
PubMed
UniProtP63422|YPEA_SHIFL Acetyltransferase YpeA (Gene Name=ypeA)

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