Structure of PDB 3ab4 Chain A Binding Site BS02

Receptor Information
>3ab4 Chain A (length=370) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALVVQKYGGSSLESAERIRNVAERIVATKKAGNDVVVVCSAMGDTTDELL
ELAAAVNPVPPAREMDMLLTAGERISNALVAMAIESLGAEAQSFTGSVTP
GRVREALDEGKICIVGGSDTTAVALAAALNADVCEIYSDVDGVYTADPRI
VPNAQKLEKLSFEEMLELAAVGSKILVLRSVEYARAFNVPLRVRSSYSND
PGTLIAGSMEDIPVEEAVLTGVATDKSEAKVTVLGISDKPGEAAKVFRAL
ADAEINIDMVLQNVFSDGTTDITFTCPRSDGRRAMEILKKLQVQGNWTNV
LYDDQVGKVSLVGAGMKSHPGVTAEFMEALRDVNVNIELISTSEIRISVL
IREDDLDAAARALHEQFQLG
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 chain3ab4 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3ab4 Mechanism of concerted inhibition of {alpha}2{beta}2-type heterooligomeric aspartate kinase from Corynebacterium glutamicum
Resolution2.47 Å
Binding residue
(original residue number in PDB)		M354 H357 P358 V360 T361 S381 E382
Binding residue
(residue number reindexed from 1)		M316 H319 P320 V322 T323 S343 E344
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
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0009088 threonine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0009090 homoserine biosynthetic process
GO:0016310 phosphorylation
GO:0019877 diaminopimelate biosynthetic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ab4, PDBe:3ab4, PDBj:3ab4
PDBsum3ab4
PubMed20573952
UniProtP26512|AK_CORGL Aspartokinase (Gene Name=lysC)

[Back to BioLiP]