Structure of PDB 5yhv Chain B Binding Site BS01

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 A Residue 403 [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)		Y64 I265
Binding residue
(residue number reindexed from 1)		Y63 I264
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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