Structure of PDB 3ayv Chain D Binding Site BS01

Receptor Information
>3ayv Chain D (length=244) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVRLAFPLSRAEEALPRLQALGLGAEVYLDPALLEEDALFQSLRRRFSG
KLSVHLPFWNLDLLSPDPEVRGLTLRRLLFGLDRAAELGADRAVFHSGIP
HGRTPEEALERALPLAEALGLVVRRARTLGVRLLLENSHEPHPEALRPVL
EAHAGELGFCFDAAHARVFSRTPDPGPWLALAPEHLHLNDTDGVYDRHWN
LGRGVLGHGAWLRPYLDRTMVLEVREDPEASLAFLQALAGEGRT
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 chain3ayv Chain D Residue 255 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ayv In vivo, in vitro, and x-ray crystallographic analyses suggest the involvement of an uncharacterized triose-phosphate isomerase (TIM) barrel protein in protection against oxidative stress
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H55 H96 E136
Binding residue
(residue number reindexed from 1)		H55 H96 E136
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ayv, PDBe:3ayv, PDBj:3ayv
PDBsum3ayv
PubMed21984829
UniProtQ53W91

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