PDB Entry (1eb3)
PDB ID: 1eb3 Resolution: 1.75 Å Exp. Method: X-RAY DIFFRACTION
PMID: 11513881 DOI: 10.1016/S0014-5793(01)02721-1
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:   4,7-DIOXOSEBACIC ACID
Canonical SMILES:   OC(=O)CCC(=O)CCC(=O)CCC(O)=O
Standard InChI:   InChI=1S/C10H14O6/c11-7(3-5-9(13)14)1-2-8(12)4-6-10(15)16/h1-6H2,(H,13,14)(H,15,16)
HET Code:   DSB PubChem:   1698
DrugBank:   DB04560 ChEMBL:   CHEMBL1232365
Molecular Formula:   C10H14O6 Mol. Weight:   230.07904 logP:   0.6344
HBD:   2 HBA:   4
#Rotatable Bonds:   9 TPSA:   108.74
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Imine Condensation LYS 263 A 10.22 2.63 Ketone
Imine Condensation LYS 210 A 11.33 6.78 Ketone
Binding Affinity
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