5P8X: humanized rat catechol O-methyltransferase in complex with N-[2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.31A

PDB ID: 5P8XDownload
MMDB ID: 154083
PDB Deposition Date: 2016/8/29
Updated in MMDB: 2021/12
Experimental Method:
x-ray diffraction
Resolution: 1.31  Å
Source Organism:
Similar Structures:
Biological Unit for 5P8X: monomeric; determined by author and by software (PISA)
Molecular Components in 5P8X
Label Count Molecule
Protein (1 molecule)
1
Catechol O-methyltransferase
(Gene symbol: Comt)
Molecule annotation
Chemicals and Non-standard biopolymers (7 molecules)
1
1
MAGNESIUM IONMAGNESIUM ION
2
2
CHLORIDE IONCHLORIDE ION
3
1
SULFATE IONSULFATE ION
4
1
N-[2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamideN-[2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
5
1
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
6
1
(4S,5S)-1,2-DITHIANE-4,5-DIOL(4S,5S)-1,2-DITHIANE-4,5-DIOL
* 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