Structure of PDB 2j0x Chain A Binding Site BS01

Receptor Information
>2j0x Chain A (length=447) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIVVSKFGGTSVADFDAMNRSADIVLSDANVRLVVLSASAGITNLLVALA
EGLEPGERFEKLDAIRNIQFAILERLRYPNVIREEIERLLENITVLAEAA
ALATSPALTDELVSHGELMSTLLFVEILRERDVQAQWFDVRKVMRTNDRF
GRAEPDIAALAELAALQLLPRLNEGLVITQGFIGSENKGRTTTLGRGGSD
YTAALLAEALHASRVDIWTDVPGIYTTDPRVVSAAKRIDEIAFAEAAEMA
TFGAKVLHPATLLPAVRSDIPVFVGSSKDPRAGGTLVCNKTENPPLFRAL
ALRRNQTLLTLHSLNMLHSRGFLAEVFGILARHNISVDLITTSEVSVALT
LDTTGSTSTGDTLLTQSLLMELSALCRVEVEEGLALVALIGNDLSKACGV
GKEVFGVLEPFNIRMICYGASSHNLCFLVPGEDAEQVVQKLHSNLFE
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain2j0x Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2j0x Structures of R- and T-State Escherichia Coli Aspartokinase III: Mechanisms of the Allosteric Transition and Inhibition by Lysine.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F184 G199 G200 S201 D202
Binding residue
(residue number reindexed from 1)		F182 G197 G198 S199 D200
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.2.4: aspartate kinase.
Gene Ontology
Molecular Function
GO:0004072 aspartate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0009090 homoserine biosynthetic process
GO:0016310 phosphorylation
Cellular Component
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:2j0x, PDBe:2j0x, PDBj:2j0x
PDBsum2j0x
PubMed16905770
UniProtP08660|AK3_ECOLI Lysine-sensitive aspartokinase 3 (Gene Name=lysC)

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