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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 ID PLP InChI InChI=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) InChIKey NGVDGCNFYWLIFO-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O ACDLabs 10.04 O=P(O)(O)OCc1cnc(c(O)c1C=O)C Formula C8 H10 N O6 P Name PYRIDOXAL-5'-PHOSPHATE; VITAMIN B6 Phosphate ChEMBL CHEMBL82202 DrugBank DB00114 ZINC ZINC000001532514 PDB chain 5yhv Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 5yhv Crystal structure of an aminotransferase from Mycobacterium tuberculosis Resolution 2.7 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 score 1

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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