Structure of PDB 4hg3 Chain D Binding Site BS01

Receptor Information
>4hg3 Chain D (length=292) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLKRVAVAQLCSSADLTKNLKVVKELISEAIQKKADVVFLPEASDYLSQN
PLHSRYLAQKSPKFIRQLQSSITDLVRDNSRNIDVSIGVHLPPSEQDLLE
GNDRVRNVLLYIDHEGKILQEYQKLHLFDVDVPNGPILKESKSVQPGKAI
PDIIESPLGKLGSAICYDIRFPEFSLKLRSMGAEILCFPSAFTIKTGEAH
WELLGRARAVDTQCYVLMPGQVGMHDLSDPEWEKRRESWGHSMVIDPWGK
IIAHADPSTVGPQLILADLDRELLQEIRNKMPLWNQRRDDLF
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain4hg3 Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hg3 Structures of enzyme-intermediate complexes of yeast Nit2: insights into its catalytic mechanism and different substrate specificity compared with mammalian Nit2
Resolution1.93 Å
Binding residue
(original residue number in PDB)		K127 F131 C169 Y170 R173 F195 T199
Binding residue
(residue number reindexed from 1)		K124 F128 C166 Y167 R170 F192 T196
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N110 K127 E143 C169 T196
Catalytic site (residue number reindexed from 1) N107 K124 E140 C166 T193
Enzyme Commision number 3.5.1.128: deaminated glutathione amidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
GO:0050406 [acetyl-CoA carboxylase]-phosphatase activity
GO:0110050 deaminated glutathione amidase activity
Biological Process
GO:0043605 amide catabolic process
Cellular Component
GO:0005575 cellular_component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4hg3, PDBe:4hg3, PDBj:4hg3
PDBsum4hg3
PubMed23897470
UniProtP47016|NIT2_YEAST Deaminated glutathione amidase (Gene Name=NIT2)

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