Structure of PDB 3ab4 Chain P Binding Site BS03

Receptor Information
>3ab4 Chain P (length=149) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLTGVATDKSEAKVTVLGISDKPGEAAKVFRALADAEINIDMVLQNVFSV
EDGTTDITFTCPRSDGRRAMEILKKLQVQGNWTNVLYDDQVGKVSLVGAH
PGVTAEFMEALRDVNVNIELISTSEIRISVLIREDDLDAAARALHEQFQ
Ligand information
Ligand IDTHR
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKeyAYFVYJQAPQTCCC-GBXIJSLDSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)N)O
CACTVS 3.341C[CH](O)[CH](N)C(O)=O
CACTVS 3.341C[C@@H](O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C(=O)O)N)O
FormulaC4 H9 N O3
NameTHREONINE
ChEMBLCHEMBL291747
DrugBankDB00156
ZINCZINC000000895103
PDB chain3ab4 Chain P Residue 201 [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)		K26 G28 E29 A30 Q49
Binding residue
(residue number reindexed from 1)		K22 G24 E25 A26 Q45
Annotation score1
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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