Structure of PDB 2ejv Chain A Binding Site BS02

Receptor Information
>2ejv Chain A (length=343) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRALAKLAPEEGLTLVDRPVPEPGPGEILVRVEAASICGTDLHIWKWDAW
ARGRIRPPLVTGHEFSGVVEAVGPGVRRPQVGDHVSLESHIVCHACPACR
TGNYHVCLNTQILGVDRDGGFAEYVVVPAENAWVNPKDLPFEVAAILEPF
GNAVHTVYAGSGVSGKSVLITGAGPIGLMAAMVVRASGAGPILVSDPNPY
RLAFARPYADRLVNPLEEDLLEVVRRVTGSGVEVLLEFSGNEAAIHQGLM
ALIPGGEARILGIPSDPIRFDLAGELVMRGITAFGIAGRRLWQTWMQGTA
LVYSGRVDLSPLLTHRLPLSRYREAFGLLASGQAVKVILDPKA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2ejv Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ejv Crystal structure of threonine 3-dehydrogenase
Resolution2.55 Å
Binding residue
(original residue number in PDB)		C96 C99 C107
Binding residue
(residue number reindexed from 1)		C96 C99 C107
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C38 G39 T40 H43 H63 E64 C93 C96 C99 C107 Q111 P149 A153 K336
Catalytic site (residue number reindexed from 1) C38 G39 T40 H43 H63 E64 C93 C96 C99 C107 Q111 P149 A153 K336
Enzyme Commision number 1.1.1.103: L-threonine 3-dehydrogenase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008743 L-threonine 3-dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006567 threonine catabolic process
GO:0019518 L-threonine catabolic process to glycine
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:2ejv, PDBe:2ejv, PDBj:2ejv
PDBsum2ejv
PubMed
UniProtQ5SKS4|TDH_THET8 L-threonine 3-dehydrogenase (Gene Name=tdh)

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