Structure of PDB 2dtj Chain B Binding Site BS02

Receptor Information
>2dtj Chain B (length=163) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEAVLTGVATDKSEAKVTVLGISDKPGEAAKVFRALADAEINIDMVLQNV
SSVEDGTTDITFTCPRSDGRRAMEILKKLQVQGNWTNVLYDDQVGKVSLV
GAGMKSHPGVTAEFMEALRDVNVNIELISTSEIRISVLIREDDLDAAARA
LHEQFQLEAVVYA
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 chain2dtj Chain B Residue 402 [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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PDB2dtj Structural Insight into Concerted Inhibition of alpha(2)beta(2)-Type Aspartate Kinase from Corynebacterium glutamicum
Resolution1.58 Å
Binding residue
(original residue number in PDB)		K26 E29 A30 Q49
Binding residue
(residue number reindexed from 1)		K25 E28 A29 Q48
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.2.4: aspartate kinase.
External links
PDB RCSB:2dtj, PDBe:2dtj, PDBj:2dtj
PDBsum2dtj
PubMed17350037
UniProtP26512|AK_CORGL Aspartokinase (Gene Name=lysC)

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