Structure of PDB 3p2a Chain C Binding Site BS01

Receptor Information
>3p2a Chain C (length=141) Species: 214092 (Yersinia pestis CO92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNTVCTACMATNRLPEERIDDGAKCGRCGHSLFDGEVINATAETLDKLLQ
DDLPMVIDFWAPWCGPCRSFAPIFAETAAERAGKVRFVKVNTEAEPALST
RFRIRSIPTIMLYRNGKMIDMLNGAVPKAPFDNWLDEQLSR
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 chain3p2a Chain C Residue 151 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p2a Crystal Structure of Thioredoxin 2 from Yersinia pestis
Resolution2.195 Å
Binding residue
(original residue number in PDB)		C5 C8 C25 C28
Binding residue
(residue number reindexed from 1)		C5 C8 C25 C28
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015035 protein-disulfide reductase activity
GO:0015036 disulfide oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3p2a, PDBe:3p2a, PDBj:3p2a
PDBsum3p2a
PubMed
UniProtA0A3N4B5I2

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