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Structure of PDB 8e9c Chain A Binding Site BS01

Receptor Information >8e9c Chain A (length=378) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] HVGTFENITAAPADFRADERPGKINPVLTSVKKAEQYLLENETTKSYLGI DGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNT SVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNE AQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFA RGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETV DRAFSQMKAAIRANYSNPPAHGASVVATILSNDALRAIWEQELTDMRQRI QRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLRLREEFGVY AVASGRVNVAGMTPDNMAPLCEAIVAVL

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 8e9c Chain A 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 8e9c Computational remodeling of an enzyme conformational landscape for altered substrate selectivity. Resolution 2.18 Å Binding residue (original residue number in PDB) G102 G103 T104 W130 N183 D211 Y214 S243 S245 K246 R254 Binding residue (residue number reindexed from 1) G84 G85 T86 W112 N165 D193 Y196 S225 S227 K228 R236 Annotation score 1

Enzymatic activity Enzyme Commision number 2.6.1.1: aspartate transaminase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity GO:0004838 L-tyrosine-2-oxoglutarate transaminase activity GO:0008483 transaminase activity GO:0030170 pyridoxal phosphate binding GO:0042802 identical protein binding GO:0042803 protein homodimerization activity

	Biological Process
GO:0006520	amino acid metabolic process
GO:0009058	biosynthetic process
GO:0009094	L-phenylalanine biosynthetic process
GO:0033585	L-phenylalanine biosynthetic process from chorismate via phenylpyruvate

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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