Structure of PDB 3hxs Chain A Binding Site BS01

Receptor Information
>3hxs Chain A (length=117) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTIHLTRAEFLKKIADYENHSKEWKYLGDKPAIVDFYADWCGPCKMVAPI
LEELSKEYAGKIYIYKVNVDKEPELARDFGIQSIPTIWFVPMKGEPQVNM
GALSKEQLKGYIDKVLL
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 chain3hxs Chain A Residue 143 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hxs In vivo oxidative protein folding can be facilitated by oxidation-reduction cycling
Resolution1.996 Å
Binding residue
(original residue number in PDB)		E96 D100
Binding residue
(residue number reindexed from 1)		E74 D78
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) C63 G64 P65 C66
Catalytic site (residue number reindexed from 1) C41 G42 P43 C44
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015035 protein-disulfide reductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:3hxs, PDBe:3hxs, PDBj:3hxs
PDBsum3hxs
PubMed19968787
UniProtQ64SV7

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