Structure of PDB 1ptm Chain A Binding Site BS01

Receptor Information
>1ptm Chain A (length=329) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKTQRVVITPGEPAGIGPDLVVQLAQREWPVELVVCADATLLTNRAAML
GLPLTLRPYSPNSPAQPQTAGTLTLLPVALRAPVTAGQLAVENGHYVVET
LARACDGCLNGEFAALITGPVHKGVINDAGIPFTGHTEFFEERSQAKKVV
MMLATEELRVALATTHLPLRDIADAITPALLHEVIAILHHDLRTKFGIAE
PRILVCGLNPHAGEGGHMGTEEIDTIIPVLNELRAQGMKLNGPLPADTLF
QPKYLDNADAVLAMYHDQGLPVLKYQGFGRGVNITLGLPFIRTSVDHGTA
LELAGRGKADVGSFITALNLAIKMIVNTQ
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 chain1ptm Chain A Residue 330 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ptm Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway
Resolution1.96 Å
Binding residue
(original residue number in PDB)		H166 H266
Binding residue
(residue number reindexed from 1)		H166 H266
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:0042802 identical protein binding
GO:0042803 protein homodimerization 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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Biological Process
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Cellular Component
External links
PDB RCSB:1ptm, PDBe:1ptm, PDBj:1ptm
PDBsum1ptm
PubMed12896974
UniProtP19624|PDXA_ECOLI 4-hydroxythreonine-4-phosphate dehydrogenase (Gene Name=pdxA)

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