Structure of PDB 1k49 Chain A Binding Site BS02

Receptor Information
>1k49 Chain A (length=208) Species: 148305 (Pyricularia grisea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFDAIPDVIQAFKNGEFVVVLDDPSRENEADLIIAAESVTTEQMAFMVRH
SSGLICAPLTPERTTALDLPQMVGTAYTVSVDAEHPSTTTGISAHDRALA
CRMLAAPDAQPSHFRRPGHVFPLRAVAGGVRARRGHTEAGVELCRLAGKR
PVAVISEIVDDGQEVEGRAVRAAPGMLRGDECVAFARRWGLKVCTIEDMI
AHVEKTEG
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1k49 Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1k49 Structural definition of the active site and catalytic mechanism of 3,4-dihydroxy-2-butanone-4-phosphate synthase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G192 M193 R195
Binding residue
(residue number reindexed from 1)		G175 M176 R178
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E37 D41 C66 Y94 D99 H136 H153 E174
Catalytic site (residue number reindexed from 1) E27 D31 C56 Y77 D82 H119 H136 E157
Enzyme Commision number 4.1.99.12: 3,4-dihydroxy-2-butanone-4-phosphate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008686 3,4-dihydroxy-2-butanone-4-phosphate synthase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009231 riboflavin biosynthetic process
Cellular Component
GO:0005575 cellular_component
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:1k49, PDBe:1k49, PDBj:1k49
PDBsum1k49
PubMed11827524
UniProtQ8TG90|RIB3_PYRO7 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=RIB3)

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