Structure of PDB 3hy8 Chain A Binding Site BS03

Receptor Information
>3hy8 Chain A (length=211) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEETHLTSLDPVKQFAAWFEEAVQCPDIGEANAMCLATCTRDGKPSARML
LLKGFGKDGFRFFTNFESRKGKELDSNPFASLVFYWEPLNRQVRVEGPVK
KLPEEEAECYFHSRPKSSQIGAVVSHQSSVIPDREYLRKKNEELEQLYQD
QEVPKPKSWGGYVLYPQVMEFWQGQTNRLHDWIVFRRGLPTPLGPMTHRG
EEDWLYERLAP
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 chain3hy8 Chain A Residue 360 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hy8 Molecular basis of reduced pyridoxine 5'-phosphate oxidase catalytic activity in neonatal epileptic encephalopathy disorder
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K100 R108 Y157
Binding residue
(residue number reindexed from 1)		K53 R61 Y110
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R225
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:0005515 protein binding
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0008615 pyridoxine biosynthetic process
GO:0042816 vitamin B6 metabolic process
GO:0042818 pyridoxamine metabolic process
GO:0042822 pyridoxal phosphate metabolic process
GO:0042823 pyridoxal phosphate biosynthetic process
GO:1901615 organic hydroxy compound metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3hy8, PDBe:3hy8, PDBj:3hy8
PDBsum3hy8
PubMed19759001
UniProtQ9NVS9|PNPO_HUMAN Pyridoxine-5'-phosphate oxidase (Gene Name=PNPO)

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