3LEP

Human Aldose Reductase mutant T113C in complex with IDD388

Summary for 3LEP

• Entry DOI: 10.2210/pdb3lep/pdb
• Related: 1US0 2IKI 3LBO 3LD5 3LQG 3LQL 3LZ3 3LZ5 3M4H
• Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, ... (6 entities in total)
• Functional Keywords: tim barrel, t113c mutant, oxidoreductase, nadp, phosphoprotein, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P15121
• Total number of polymer chains: 1
• Total formula weight: 37332.44

Authors

Koch, C.,Heine, A.,Klebe, G. (deposition date: 2010-01-15, release date: 2010-12-15, Last modification date: 2024-03-20)

• Primary citation: Koch, C.,Heine, A.,Klebe, G.; Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors; J.Mol.Biol., 406:700-712, 2011; PubMed: 21185307; DOI: 10.1016/j.jmb.2010.11.058

Experimental method

X-RAY DIFFRACTION (0.99 Å)