Structure of PDB 2j0x Chain B Binding Site BS01

Receptor Information
>2j0x Chain B (length=445) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEIVVSKFGGTSVADFDAMNRSADIVLSDANVRLVVLSASAGITNLLVAL
AEGLEPGERFEKLDAIRNIQFAILERLRYPNVIREEIERLLENITVLAEA
AALATSPALTDELVSHGELMSTLLFVEILRERDVQAQWFDVRKVMRTNDR
FGRAEPDIAALAELAALQLLPRLNEGLVITQGFIGSENKGRTTTLGRGGS
DYTAALLAEALHASRVDIWTDVPGIYTTDPRVVSAAKRIDEIAFAEAAEM
ATFGAKVLHPATLLPAVRSDIPVFVGSSKDPRAGGTLVCNKTENPPLFRA
LALRRNQTLLTLHSLNMLHSRGFLAEVFGILARHNISVDLITTSEVSVAL
TLDTTGSTDTLLTQSLLMELSALCRVEVEEGLALVALIGNDLSKACGVGK
EVFGVLEPFNIRMICYGASSHNLCFLVPGEDAEQVVQKLHSNLFE
Ligand information
Ligand IDLYS
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCC[NH3+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC[NH3+]
OpenEye OEToolkits 1.5.0C(CC[NH3+])C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCC[NH3+])C(O)=O
OpenEye OEToolkits 1.5.0C(CC[NH3+])CC(C(=O)O)N
FormulaC6 H15 N2 O2
NameLYSINE
ChEMBL
DrugBank
ZINC
PDB chain2j0x Chain A Residue 1451 [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)		S338 V339 D340
Binding residue
(residue number reindexed from 1)		S337 V338 D339
Annotation score2
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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