Structure of PDB 2vhx Chain A Binding Site BS01

Receptor Information
>2vhx Chain A (length=368) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVGIPTETKNNEFRVAITPAGVAELTRRGHEVLIQAGAGEGSAITDADF
KAAGAQLVGTADQVWADADLLLKVKEPIAAEYGRLRHGQILFTFLHLAAS
RACTDALLDSGTTSIAYETVQTADGALPLLAPMSEVAGRLAAQVGAYHLM
RTQGGRGVLMGGVPGVEPADVVVIGAGTAGYNAARIANGMGATVTVLDIN
IDKLRQLDAEFCGRIHTRYSSAYELEGAVKRADLVIGAVLVKAPKLVSNS
LVAHMKPGAVLVDIAIDQGGCFEGSRPTTYDHPTFAVHDTLFYCVANMPA
SVPKTSTYALTNATMPYVLELADHGWRAACRSNPALAKGLSTHEGALLSE
RVATDLGVPFTEPASVLA
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain2vhx Chain A Residue 1373 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vhx Three-Dimensional Structures of Apo- and Holo-L-Alanine Dehydrogenase from Mycobacterium Tuberculosis Reveal Conformational Changes Upon Coenzyme Binding.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R15 K75 F94 H96 M133 D270 N300
Binding residue
(residue number reindexed from 1)		R15 K75 F94 H96 M133 D267 N297
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R15 K75 F94 H96 E118 T122 P128 A131 D270
Catalytic site (residue number reindexed from 1) R15 K75 F94 H96 E118 T122 P128 A131 D267
Enzyme Commision number 1.4.1.1: alanine dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000286 alanine dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0001666 response to hypoxia
GO:0006524 alanine catabolic process
GO:0042853 L-alanine catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vhx, PDBe:2vhx, PDBj:2vhx
PDBsum2vhx
PubMed18304579
UniProtP9WQB1|DHA_MYCTU Alanine dehydrogenase (Gene Name=ald)

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