Structure of PDB 1r8k Chain A Binding Site BS01

Receptor Information
>1r8k Chain A (length=327) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAQRVVITPGEPAGSGPDLVVQLAQRAWPIELVVCADGALLTERAAMLGL
PLSLLPYSPDVPAAPQPAGTLTLLPVSLRAPAISGQLTVENGPYVVETLA
RACDGCLNGEFAALITGPVHKGVINDAGISFTGHTEFFEERSQAKKVVMM
LATEELRVALATTHLPLRAIADAITPALLHEVIAILHHDLRTKFGIAEPR
ILVCGLNPHAGEGGHMGTEEIDTIIPVLDELRAQGMKLNGPLPADTLFQP
KYLDNADAVLAMYHDQGLPVLKYQGFGRGVNITLGLPFIRTSVDHGTALE
LAGRGKADVGSFITALNLAIKMIVNTQ
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain1r8k Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r8k Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H166 H266
Binding residue
(residue number reindexed from 1)		H164 H264
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.262: 4-hydroxythreonine-4-phosphate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050570 4-hydroxythreonine-4-phosphate dehydrogenase activity
GO:0050897 cobalt ion binding
GO:0051287 NAD binding
Biological Process
GO:0008615 pyridoxine biosynthetic process
GO:0042823 pyridoxal phosphate biosynthetic process
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:1r8k, PDBe:1r8k, PDBj:1r8k
PDBsum1r8k
PubMed
UniProtP58717|PDXA_SALTY 4-hydroxythreonine-4-phosphate dehydrogenase (Gene Name=pdxA)

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