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BioLiP

Structure of PDB 2q42 Chain A Binding Site BS01

Receptor Information
>2q42 Chain A (length=254) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQIELVPCLKDNYAYILHDEDTGTVGVVDPSEAEPIIDSLKRSGRNLTYI
LNTHHHYDHTGGNLELKDRYGAKVIGSAMDKDRIPGIDMALKDGDKWMFA
GHEVHVMDTPGHTKGHISLYFPGSRAIFTGDTMFSLSCGKLFEGTPKQML
ASLQKITSLPDDTSIYCGHEYTLSNSKFALSLEPNNEVLQSYAAHVAELR
SKKLPTIPTTVKMEKACNPFLRSSNTDIRRALRIPEAADEAEALGIIRKA
KDDF
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 chain2q42 Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2q42 Ensemble refinement of protein crystal structures: validation and application.
Resolution1.742 Å
Binding residue
(original residue number in PDB)		H54 H56 H112 D131
Binding residue
(residue number reindexed from 1)		H54 H56 H112 D131
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H54 H56 D58 H59 H112 D131 H169
Catalytic site (residue number reindexed from 1) H54 H56 D58 H59 H112 D131 H169
Enzyme Commision number 3.1.2.6: hydroxyacylglutathione hydrolase.
Gene Ontology
Molecular Function
GO:0004416 hydroxyacylglutathione hydrolase activity
Biological Process
GO:0019243 methylglyoxal catabolic process to D-lactate via S-lactoyl-glutathione

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Molecular Function
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Biological Process
External links
PDB RCSB:2q42, PDBe:2q42, PDBj:2q42
PDBsum2q42
PubMed17850744
UniProtQ9SID3|GLO2N_ARATH Hydroxyacylglutathione hydrolase 2, mitochondrial (Gene Name=At2g31350)

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