Structure of PDB 1k4o Chain A Binding Site BS03

Receptor Information
>1k4o 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 IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1k4o Chain A Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1k4o Structural definition of the active site and catalytic mechanism of 3,4-dihydroxy-2-butanone-4-phosphate synthase.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		E37 D41 H153 I172 E174
Binding residue
(residue number reindexed from 1)		E26 D30 H142 I161 E163
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:1k4o, PDBe:1k4o, PDBj:1k4o
PDBsum1k4o
PubMed11827524
UniProtQ8TG90|RIB3_PYRO7 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=RIB3)

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