Structure of PDB 1g78 Chain A Binding Site BS01

Receptor Information
>1g78 Chain A (length=199) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGLRRRDLPADPLTLFERWLSQACEAKLADPTAMVVATVDEHGQPYQRIV
LLKHYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHTLERQVMVIGKAE
RLSTLEVMKYFHSRPRDSQIGAWVSKQSSRISARGILESKFLELKQKFQQ
GEVPLPSFWGGFRVSLEQIEFWQGGEHRLHDRFLYQRENDAWKIDRLAP
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1g78 Chain A Residue 280 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g78 X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 2.0 A resolution.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R23 R24 R215
Binding residue
(residue number reindexed from 1)		R4 R5 R196
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R197
Catalytic site (residue number reindexed from 1) R178
Enzyme Commision number 1.4.3.5: pyridoxal 5'-phosphate synthase.
Gene Ontology
Molecular Function
GO:0004733 pyridoxamine phosphate oxidase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016638 oxidoreductase activity, acting on the CH-NH2 group of donors
GO:0030170 pyridoxal phosphate binding
GO:0042301 phosphate ion binding
GO:0042803 protein homodimerization activity
GO:1902444 riboflavin binding
Biological Process
GO:0008615 pyridoxine biosynthetic process
GO:0036001 'de novo' pyridoxal 5'-phosphate biosynthetic process
GO:0042816 vitamin B6 metabolic process
GO:0042823 pyridoxal phosphate biosynthetic process
GO:1901615 organic hydroxy compound metabolic process
Cellular Component
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Cellular Component
External links
PDB RCSB:1g78, PDBe:1g78, PDBj:1g78
PDBsum1g78
PubMed11453690
UniProtP0AFI7|PDXH_ECOLI Pyridoxine/pyridoxamine 5'-phosphate oxidase (Gene Name=pdxH)

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