Structure of PDB 4je5 Chain C Binding Site BS01

Receptor Information
>4je5 Chain C (length=492) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLPESKDFSYLFSDETNARKPSPLKTCPNIIFLGGGLPLKDYFPWDNLSV
DSPKPPFPQGIGAPIDEQNCIKYTVNKDYADKSANPSNDIPLSRALQYGF
SAGQPELLNFIRDHTKIIHDLKYKDWDVLATAGNTNAWESTLRVFCNRGD
VILVEAHSFSSSLASAEAQGVITFPVPIDADGIIPEKLAKVMENWTPGAP
KPKLLYTIPTGQNPTGTSIADHRKEAIYKIAQKYDFLIVEDEPYYFLQMN
PYIKDLKEREKAQSSPKQDHDEFLKSLANTFLSLDTEGRVIRMDSFSKVL
APGTRLGWITGSSKILKPYLSLHEMTIQAPAGFTQVLVNATLSRWGQKGY
LDWLLGLRHEYTLKRDCAIDALYKYLPQSDAFVINPPIAGMFFTVNIDAS
VHPEFKTKYNSDPYQLEQSLYHKVVERGVLVVPGSWFKSEGETEPPQPAE
SKEVSNPNIIFFRGTYAAVSPEKLTEGLKRLGDTLYEEFGIS
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain4je5 Chain C Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4je5 Crystal structure of Saccharomyces cerevisiae Aro8, a putative alpha-aminoadipate aminotransferase.
Resolution1.909 Å
Binding residue
(original residue number in PDB)		N141 T142 F166 I215 N220 D248 Y251 S302 S304 K305
Binding residue
(residue number reindexed from 1)		N134 T135 F159 I208 N213 D241 Y244 S295 S297 K298
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.39: 2-aminoadipate transaminase.
2.6.1.57: aromatic-amino-acid transaminase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0008793 aromatic-amino-acid transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0047536 2-aminoadipate transaminase activity
GO:0080130 L-phenylalanine-2-oxoglutarate transaminase activity
Biological Process
GO:0006571 tyrosine biosynthetic process
GO:0009058 biosynthetic process
GO:0009072 aromatic amino acid metabolic process
GO:0009074 aromatic amino acid family catabolic process
GO:0009094 L-phenylalanine biosynthetic process
GO:0019509 L-methionine salvage from methylthioadenosine
GO:0019878 lysine biosynthetic process via aminoadipic acid
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4je5, PDBe:4je5, PDBj:4je5
PDBsum4je5
PubMed23893908
UniProtP53090|ARO8_YEAST Aromatic/aminoadipate aminotransferase 1 (Gene Name=ARO8)

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