Structure of PDB 5yhv Chain B Binding Site BS02

Receptor Information
>5yhv Chain B (length=387) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDRVALRAGVPPFYVMDVWLAAAERQRTHGDLVNLSAGQPSAGAPEPVRA
AAAAALHLNQLGYSVALGIPELRDAIAADYQRRHGITVEPDAVVITTGSS
GGFLLAFLACFDAGDRVAMASPGYPCYRNILSALGCEVVEIPCGPQTRFQ
PTAQMLAEIDPPLRGVVVASPANPTGTVIPPEELAAIASWCDASDVRLIS
DEVYHGLVYQGAPQTSCAWQTSRNAVVVNSFSKYYAMTGWRLGWLLVPTV
LRRAVDCLTGNFTICPPVLSQIAAVSAFTPEATAEADGNLASYAINRSLL
LDGLRRIGIDRLAPTDGAFYVYADVSDFTSDSLAFCSKLLADTGVAIAPG
IDFDTARGGSFVRISFAGPSGDIEEALRRIGSWLPSQ
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5yhv Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yhv Crystal structure of an aminotransferase from Mycobacterium tuberculosis
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G99 S100 S101 Y125 N174 D202 V204 Y205 S231 S233 K234 R242
Binding residue
(residue number reindexed from 1)		G98 S99 S100 Y124 N173 D201 V203 Y204 S230 S232 K233 R241
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.66: valine--pyruvate transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0009042 valine-pyruvate transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009058 biosynthetic process
Cellular Component
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:5yhv, PDBe:5yhv, PDBj:5yhv
PDBsum5yhv
PubMed
UniProtP96847|AVTA_MYCTU Valine--pyruvate aminotransferase (Gene Name=aspB)

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