Structure of PDB 1k4i Chain A Binding Site BS02

Receptor Information
>1k4i Chain A (length=216) Species: 148305 (Pyricularia grisea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDAIPDVIQAFKNGEFVVVLDDPSRENEADLIIAAESVTTEQMAFMVRHS
SGLICAPLTPERTTALDLPQMVTHNADPRGTAYTVSVDAEHPSTTTGISA
HDRALACRMLAAPDAQPSHFRRPGHVFPLRAVAGGVRARRGHTEAGVELC
RLAGKRPVAVISEIVDDGQEVEGRAVRAAPGMLRGDECVAFARRWGLKVC
TIEDMIAHVEKTEGKL
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 chain1k4i Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1k4i Structural definition of the active site and catalytic mechanism of 3,4-dihydroxy-2-butanone-4-phosphate synthase.
Resolution0.98 Å
Binding residue
(original residue number in PDB)		Q81 R141
Binding residue
(residue number reindexed from 1)		Q70 R130
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E37 D41 C66 R90 Y94 D99 H136 H153 E174
Catalytic site (residue number reindexed from 1) E26 D30 C55 R79 Y83 D88 H125 H142 E163
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:1k4i, PDBe:1k4i, PDBj:1k4i
PDBsum1k4i
PubMed11827524
UniProtQ8TG90|RIB3_PYRO7 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=RIB3)

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