Structure of PDB 6q1s Chain D Binding Site BS02

Receptor Information
>6q1s Chain D (length=283) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMVVTLDGEILQPGMPLLHADDLAAVRGDGVFETLLVRDGRACLVEAHLQ
RLTQSARLMDLPEPDLPRWRRAVEVATQRWVASTADEGALRLIYSRGREG
GSAPTAYVMVSPVPARVIGARRDGVSAITLDRGLPADGGDAMPWLIASAK
TLSYAVNMAVLRHAARQGAGDVIFVSTDGYVLEGPRSTVVIATDPCLLTP
PPWYPILRGTTQQALFEVARAKGYDCDYRALRVADLFDSQGIWLVSSMTL
AARVHTLDGRRLPRTPIAEVFAELVDAAIVSDR
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 chain6q1s Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6q1s A hypothetical aminotransferase from Mycobacterium tuberculosis
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S252 M254 T255
Binding residue
(residue number reindexed from 1)		S246 M248 T249
Annotation score5
Enzymatic activity
Enzyme Commision number 2.6.1.21: D-amino-acid transaminase.
4.1.3.38: aminodeoxychorismate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0008696 4-amino-4-deoxychorismate lyase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0019752 carboxylic acid metabolic process
GO:0046394 carboxylic acid biosynthetic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046656 folic acid biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6q1s, PDBe:6q1s, PDBj:6q1s
PDBsum6q1s
PubMed
UniProtQ79FW0|BALDT_MYCTU Bifunctional aminodeoxychorismate lyase / D-amino acid transaminase (Gene Name=Rv0812)

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