Structure of PDB 4je5 Chain A Binding Site BS03

Receptor Information
>4je5 Chain A (length=494) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLPESKDFSYLFSDETNARKPSPLKLFQDPNIIFLGGGLPLKDYFPWDNL
SVDSPKPPFPQGIGAPIDEQNCIKYTVNKDYADKSANPSNDIPLSRALQY
GFSAGQPELLNFIRDHTKIIHDLKYKDWDVLATAGNTNAWESTLRVFCNR
GDVILVEAHSFSSSLASAEAQGVITFPVPIDADGIIPEKLAKVMENWTPG
APKPKLLYTIPTGQNPTGTSIADHRKEAIYKIAQKYDFLIVEDEPYYFLQ
MNPYIKDLKEREKAQSSPKQDHDEFLKSLANTFLSLDTEGRVIRMDSFSK
VLAPGTRLGWITGSSKILKPYLSLHEMTIQAPAGFTQVLVNATLSRWGQK
GYLDWLLGLRHEYTLKRDCAIDALYKYLPQSDAFVINPPIAGMFFTVNID
ASVHPEFKTKYNSDPYQLEQSLYHKVVERGVLVVPGSWFKSEGETEPPQP
AESKEVSNPNIIFFRGTYAAVSPEKLTEGLKRLGDTLYEEFGIS
Ligand information
Ligand IDEPE
InChIInChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKeyJKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCN1CCN(CCO)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCO)CCS(=O)(=O)O
CACTVS 3.341OCCN1CCN(CC1)CC[S](O)(=O)=O
FormulaC8 H18 N2 O4 S
Name4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID;
HEPES
ChEMBLCHEMBL1232545
DrugBankDB16872
ZINCZINC000019203136
PDB chain4je5 Chain A Residue 603 [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)		E174 W443 K445
Binding residue
(residue number reindexed from 1)		E169 W438 K440
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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