Structure of PDB 2asf Chain A Binding Site BS01

Receptor Information
>2asf Chain A (length=125) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDDALAFLSERHLAMLTTLRADNSPHVVAVGFTFDPKTHIARVITTGGSQ
KAVNADRSGLAVLSQVDGARWLSLEGRAAVNSDIDAVRDAELRYAQRYRT
PRPNPRRVVIEVQIERVLGSADLLD
Ligand information
Ligand IDCIT
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)C(CC(=O)O)(C(=O)O)O
ACDLabs 10.04O=C(O)CC(O)(C(=O)O)CC(=O)O
CACTVS 3.341OC(=O)CC(O)(CC(O)=O)C(O)=O
FormulaC6 H8 O7
NameCITRIC ACID
ChEMBLCHEMBL1261
DrugBankDB04272
ZINCZINC000000895081
PDB chain2asf Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2asf The molecular structure of Rv2074, a probable pyridoxine 5'-phosphate oxidase from Mycobacterium tuberculosis, at 1.6 angstroms resolution.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		T55 T56 S59 K61
Binding residue
(residue number reindexed from 1)		T45 T46 S49 K51
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.98.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:0042803 protein homodimerization activity
GO:0070967 coenzyme F420 binding
Cellular Component
GO:0005576 extracellular region
GO:0009274 peptidoglycan-based cell wall
GO:0009986 cell surface

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2asf, PDBe:2asf, PDBj:2asf
PDBsum2asf
PubMed16880544
UniProtP9WLL7|FBVR_MYCTU F420H(2)-dependent biliverdin reductase (Gene Name=Rv2074)

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