Structure of PDB 3ab4 Chain B Binding Site BS02

Receptor Information
>3ab4 Chain B (length=157) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLTGVATDKSEAKVTVLGISDKPGEAAKVFRALADAEINIDMVLQNVFSD
GTTDITFTCPRSDGRRAMEILKKLQVGNWTNVLYDDQVGKVSLVGAGMKS
HPGVTAEFMEALRDVNVNIELISTSEIRISVLIREDDLDAAARALHEQFQ
LGGEDEA
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

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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)		N43 I44 D45
Binding residue
(residue number reindexed from 1)		N39 I40 D41
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.2.4: aspartate kinase.
External links
PDB RCSB:3ab4, PDBe:3ab4, PDBj:3ab4
PDBsum3ab4
PubMed20573952
UniProtP26512|AK_CORGL Aspartokinase (Gene Name=lysC)

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