Structure of PDB 1rhy Chain B Binding Site BS01

Receptor Information
>1rhy Chain B (length=180) Species: 5207 (Cryptococcus neoformans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SERIASVERTTSETHISCTIDLDHIPGVTEQKINVSTGIGFLDHMFTALA
KHGGMSLQLQCKGDTAEDCALALGEAFKKALGERKGIKRYGYAYAPLDES
LSRAVIDISSRPYFMCHLPFTREKVGDLSTEMVSHLLQSFAFAAGVTLHI
DSIRGENNHHIAESAFKALALAIRMAISRT
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 chain1rhy Chain B Residue 321 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rhy Crystal structure of imidazole glycerol-phosphate dehydratase: duplication of an unusual fold
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G134 H167
Binding residue
(residue number reindexed from 1)		G126 H159
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.19: imidazoleglycerol-phosphate dehydratase.
Gene Ontology
Molecular Function
GO:0004424 imidazoleglycerol-phosphate dehydratase activity
GO:0016829 lyase activity
Biological Process
GO:0000105 L-histidine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1rhy, PDBe:1rhy, PDBj:1rhy
PDBsum1rhy
PubMed14724278
UniProtP0CO22|HIS7_CRYNJ Imidazoleglycerol-phosphate dehydratase (Gene Name=HIS3)

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