3MQE: Structure of SC-75416 bound at the COX-2 active site

PDB ID: 3MQEDownload
MMDB ID: 85779
PDB Deposition Date: 2010/4/28
Updated in MMDB: 2010/12
Experimental Method:
x-ray diffraction
Resolution: 2.8  Å
Source Organism:
Similar Structures:
Biological Unit for 3MQE: dimeric; determined by author and by software (PISA)
Molecular Components in 3MQE
Label Count Molecule
Proteins (2 molecules)
2
Prostaglandin G/H Synthase 2
(Gene symbol: Ptgs2)
Molecule annotation
Chemicals and Non-standard biopolymers (21 molecules)
1
16
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
2
PROTOPORPHYRIN IX CONTAINING FEPROTOPORPHYRIN IX CONTAINING FE
3
1
octyl beta-D-glucopyranosideoctyl beta-D-glucopyranoside
4
2
(2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid(2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-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