Structure of PDB 1czc Chain A Binding Site BS02

Receptor Information
>1czc Chain A (length=396) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFENITTAPADPILGLADLLRADERPGKIDLGMGVYNDETGKTPVLTSVK
KAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQT
PGGTGALRVAADFLAKNTSVRRVWVSNPSWPNHKSVFNSAGLEVREYAYY
DAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQL
SVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGL
YNERVGTCTLVAADSETVDRAFSQMKAAIRVNYSSPPAHGASVVATILGN
DALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFTIKQNGMFFF
GGLTKEQVLRLREEFGVYAVASGRLNVAGMTPDNLAPLCEAIVAVL
Ligand information
Ligand IDGUA
InChIInChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKeyJFCQEDHGNNZCLN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)O)CC(=O)O
ACDLabs 10.04O=C(O)CCCC(=O)O
CACTVS 3.341OC(=O)CCCC(O)=O
FormulaC5 H8 O4
NameGLUTARIC ACID
ChEMBLCHEMBL1162495
DrugBankDB03553
ZINCZINC000000388706
PDB chain1czc Chain A Residue 414 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1czc Cocrystallization of a mutant aspartate aminotransferase with a C5-dicarboxylic substrate analog: structural comparison with the enzyme-C4-dicarboxylic analog complex.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		I17 W140 N194 R386
Binding residue
(residue number reindexed from 1)		I13 W130 N183 R374
Annotation score2
Binding affinityMOAD: Kd=1.5mM
PDBbind-CN: -logKd/Ki=2.82,Kd=1.5mM
Enzymatic activity
Catalytic site (original residue number in PDB) W140 D222 A224 K258
Catalytic site (residue number reindexed from 1) W130 D211 A213 K246
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1czc, PDBe:1czc, PDBj:1czc
PDBsum1czc
PubMed10731702
UniProtP00509|AAT_ECOLI Aspartate aminotransferase (Gene Name=aspC)

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