PDB Entry (1ylv)
PDB ID: 1ylv Resolution: 2.15 Å Exp. Method: X-RAY DIFFRACTION
PMID: 10386874 DOI: -
Protein
Protein Name: Delta-aminolevulinic acid dehydratase
Uniprot ID/ACC: P05373 (HEM2_YEAST) Organism: Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
Gene Symbol: HEM2 Gene ID: 852842
Protein Class: LYASE
Ligand
Ligand Name:   (E)-5-Bromo-4-oxo-pent-2-enoic acid
Canonical SMILES:   OC(=O)\C=C\C(=O)CBr
Standard InChI:   InChI=1S/C5H5BrO3/c6-3-4(7)1-2-5(8)9/h1-2H,3H2,(H,8,9)/b2-1+
HET Code:   SHF PubChem:   49855644
DrugBank:   - ChEMBL:   -
Molecular Formula:   C5H5BrO3 Mol. Weight:   191.9422 logP:   0.5912
HBD:   1 HBA:   2
#Rotatable Bonds:   3 TPSA:   54.37
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Imine Condensation LYS 263 A 11.57 3.62 Vinyl Carbonyl
Binding Affinity
Database Name Value
PDBBind Ki : 2000000 nM