Structure of PDB 1ps6 Chain A Binding Site BS02

Receptor Information
>1ps6 Chain A (length=328) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKTQRVVITPGEPAGIGPDLVVQLAQREWPVELVVCADATLLTNRAAMLG
LPLTLRPYSPNSPAQPQTAGTLTLLPVALRAPVTAGQLAVENGHYVVETL
ARACDGCLNGEFAALITGPVHKGVINDAGIPFTGHTEFFEERSQAKKVVM
MLATEELRVALATTHLPLRDIADAITPALLHEVIAILHHDLRTKFGIAEP
RILVCGLNPHAGEGGHMGTEEIDTIIPVLNELRAQGMKLNGPLPADTLFQ
PKYLDNADAVLAMYHDQGLPVLKYQGFGRGVNITLGLPFIRTSVDHGTAL
ELAGRGKADVGSFITALNLAIKMIVNTQ
Ligand information
Ligand ID4TP
InChIInChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1
InChIKeyFKHAKIJOKDGEII-GBXIJSLDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C(=O)O)N)O)OP(=O)(O)O
CACTVS 3.341N[CH]([CH](O)CO[P](O)(O)=O)C(O)=O
CACTVS 3.341N[C@@H]([C@H](O)CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O
FormulaC4 H10 N O7 P
Name4-HYDROXY-L-THREONINE-5-MONOPHOSPHATE
ChEMBL
DrugBankDB02609
ZINC
PDB chain1ps6 Chain A Residue 332 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ps6 Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H136 T137 H166 H266 N283 R292
Binding residue
(residue number reindexed from 1)		H135 T136 H165 H265 N282 R291
Annotation score5
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ps6, PDBe:1ps6, PDBj:1ps6
PDBsum1ps6
PubMed12896974
UniProtP19624|PDXA_ECOLI 4-hydroxythreonine-4-phosphate dehydrogenase (Gene Name=pdxA)

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