3DQS: Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(4'-chlorobenzyl)ethane-1,2-diamine

PDB ID: 3DQSDownload
MMDB ID: 70528
PDB Deposition Date: 2008/7/9
Updated in MMDB: 2012/08
Experimental Method:
x-ray diffraction
Resolution: 2.03  Å
Source Organism:
Similar Structures:
Biological Unit for 3DQS: dimeric; determined by software (PISA)
Molecular Components in 3DQS
Label Count Molecule
Proteins (2 molecules)
2
Nitric Oxide Synthase, Endothelial
(Gene symbol: NOS3)
Molecule annotation
Chemicals and Non-standard biopolymers (13 molecules)
1
2
CACODYLATE IONCACODYLATE ION
2
2
ACETATE IONACETATE ION
3
1
ZINC IONZINC ION
4
2
PROTOPORPHYRIN IX CONTAINING FEPROTOPORPHYRIN IX CONTAINING FE
5
2
5,6,7,8-TETRAHYDROBIOPTERIN5,6,7,8-TETRAHYDROBIOPTERIN
6
2
N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINEN-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
7
2
GLYCEROLGLYCEROL
* 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