Structure of PDB 1nxj Chain B Binding Site BS01

Receptor Information
>1nxj Chain B (length=155) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISFRPTADLVDDIGPDVRSCDLQFRQFGGRSQFAGPISTVRCFQDNALLK
SVLSQPSAGGVLVIDGAGSLHTALVGDVIAELARSTGWTGLIVHGAVRDA
AALRGIDIGIKALGTNPRKSTKTGAGERDVEITLGGVTFVPGDIAYSDDD
GIIVV
Ligand information
Ligand IDGLV
InChIInChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
InChIKeyHHLFWLYXYJOTON-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)C(=O)O
ACDLabs 10.04O=CC(=O)O
CACTVS 3.341OC(=O)C=O
FormulaC2 H2 O3
NameGLYOXYLIC ACID;
GLYOXALATE;
GLYOXYLATE
ChEMBLCHEMBL1162545
DrugBankDB04343
ZINCZINC000004658554
PDB chain1nxj Chain B Residue 742 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nxj Crystal Structure of a Putative Methyltransferase from Mycobacterium tuberculosis: Misannotation of a Genome Clarified by Protein Structural Analysis
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q25 F26 D151
Binding residue
(residue number reindexed from 1)		Q23 F24 D149
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.112: oxaloacetate decarboxylase.
4.1.3.17: 4-hydroxy-4-methyl-2-oxoglutarate aldolase.
Gene Ontology
Molecular Function
GO:0008428 ribonuclease inhibitor activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0008948 oxaloacetate decarboxylase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0047443 4-hydroxy-4-methyl-2-oxoglutarate aldolase activity
Biological Process
GO:0051252 regulation of RNA metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1nxj, PDBe:1nxj, PDBj:1nxj
PDBsum1nxj
PubMed12837779
UniProtP9WGY3|RRAAH_MYCTU Putative 4-hydroxy-4-methyl-2-oxoglutarate aldolase (Gene Name=rraA)

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