Structure of PDB 4je5 Chain A Binding Site BS04

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 B Residue 604 [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)		L25 K26 G42 G43 Y105
Binding residue
(residue number reindexed from 1)		L24 K25 G37 G38 Y100
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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