5L57: Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a)

PDB ID: 5L57Download
MMDB ID: 145634
PDB Deposition Date: 2016/5/28
Updated in MMDB: 2016/12
Experimental Method:
x-ray diffraction
Resolution: 2.695  Å
Source Organism:
Similar Structures:
Biological Unit for 5L57: dimeric; determined by author and by software (PISA)
Molecular Components in 5L57
Label Count Molecule
Proteins (2 molecules)
2
Isocitrate Dehydrogenase [nadp] Cytoplasmic
(Gene symbol: IDH1)
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
2
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATENADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
2
2
(1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid(1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303