Structure of PDB 5kia Chain A Binding Site BS02

Receptor Information
>5kia Chain A (length=339) Species: 271848 (Burkholderia thailandensis E264) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKALAKLEPGLTLTRVKKPEVGHNDVLIKIRRTAICGTDIHIWKWDDWA
QKTIPVMHVGHEYVGEIVEMGQEVRGFSIGDRVSGEGHITCGFCRNCRAG
RRHLCRNTVGVGVNREGAFAEYLAIPAFNAFKIPPEISDDLAAIFDPFGN
ATHTALSFNLVGEDVLITGAGPIGVMAVAIAKHVGARNVVITDINDYRLD
LARRMGATRAVNVSRESLRDVMADLHMTEGFDVGLEMSGVPSAFTSLLES
MNHGGKVALLGIPPAQTAIDWNQVIFKGLEIKGIYGREMFETWYKMVAML
QSGLDLSPIITHRFAVDDYEKGFAAMLSGESGKVILDWA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5kia Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kia Crystal structure of L-threonine 3-dehydrogenase from Burkholderia thailandensis
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D148 N152 E290
Binding residue
(residue number reindexed from 1)		D146 N150 E288
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C38 G39 T40 H43 H63 E64 C93 C96 C99 C107 V111 P149 A153 K335
Catalytic site (residue number reindexed from 1) C37 G38 T39 H42 H61 E62 C91 C94 C97 C105 V109 P147 A151 K333
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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Biological Process
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Cellular Component
External links
PDB RCSB:5kia, PDBe:5kia, PDBj:5kia
PDBsum5kia
PubMed
UniProtQ2T9E1|TDH_BURTA L-threonine 3-dehydrogenase (Gene Name=tdh)

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