Structure of PDB 1pvw Chain A Binding Site BS02

Receptor Information
>1pvw Chain A (length=219) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNVEKAIEALKKGEIILVYDSDEREGETDMVVASQFITPEHIRIMRKDAG
GLICTALHPDICNKLGIPFMVDILEFASQKFKVLRELYPNDIPYDEKSSF
SITINHRKTFTGITDNDRAFTIKKLAELVKEGRFNDFGKEFRSPGHVTLL
RAAEGLVKNRQGHTEMTVALAELANLVPITTICEMMGDDGNAMSKNETKR
YAEKHNLIYLSGEEIINYY
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 chain1pvw Chain A Residue 409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pvw Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE CATALYTIC MECHANISM
Resolution2.45 Å
Binding residue
(original residue number in PDB)		R25 E26 R161 G163 H164 T165
Binding residue
(residue number reindexed from 1)		R24 E25 R160 G162 H163 T164
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E26 D30 C55 Y95 F101 N106 H147 H164 E185
Catalytic site (residue number reindexed from 1) E25 D29 C54 Y94 F100 N105 H146 H163 E184
Enzyme Commision number 4.1.99.12: 3,4-dihydroxy-2-butanone-4-phosphate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0008686 3,4-dihydroxy-2-butanone-4-phosphate synthase activity
GO:0016829 lyase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0009231 riboflavin biosynthetic process
Cellular Component
GO:0005829 cytosol

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Biological Process
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Cellular Component
External links
PDB RCSB:1pvw, PDBe:1pvw, PDBj:1pvw
PDBsum1pvw
PubMed12904291
UniProtQ60364|RIBB_METJA 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=ribB)

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