Structure of PDB 7ysi Chain A Binding Site BS02

Receptor Information
>7ysi Chain A (length=143) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMMIIVCASCDAKNRVPEEKLTAQPSCGQCHQPLLPLEPIELNEQNFS
NYITNSDLPILIDLWAEWCGPCKMMAPHFAQVAKQNPRVIFAKINTEESP
RLSQAFNVRSIPTLVLMNKTTEVARMSGALRAPELQQWLDQQL
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 chain7ysi Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ysi Comparison of the structure and activity of thioredoxin 2 and thioredoxin 1 from Acinetobacter baumannii.
Resolution1.202 Å
Binding residue
(original residue number in PDB)		H-1 E16
Binding residue
(residue number reindexed from 1)		H3 E20
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.1.8: protein-disulfide reductase.
Gene Ontology
Molecular Function
GO:0015035 protein-disulfide reductase activity
GO:0015036 disulfide oxidoreductase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:7ysi, PDBe:7ysi, PDBj:7ysi
PDBsum7ysi
PubMed36752373
UniProtA0A219CD23

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