4imx Summary details

pdbe.org/4imx/summary_details
spacer Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3,5-bis(2-(6-amino-4-methylpyridin-2-yl)ethyl)benzonitrile
Summary
Header Oxidoreductase/Oxidoreductase inhibitorsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 2.25 Å, R-factor: 17.874%, Free R-factor: 22.178%, Spacegroup: P 21 21 21
Released 24/04/2013, deposition: 03/01/2013, last revision: 01/05/2013
Authors Li, H.search; Poulos, T.L.search
Primary citation Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.MED.CHEM.search vol:56, pag:3024-3032 (2013) [PubMed 23451760 ]search
Keywords oxidoreductase nitric oxide synthasesearch, Oxidoreductase-Oxidoreductase inhibitor complexsearch
EC 1.14.13.39 ExPASy BRENDA search (A B)
Organism Bos taurus(cattle) 9913search(A B)
UniProt P29473search (A B)
Solvent A, B
Related entries 4ims, 4imt, 4imu, 4imw
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A, B subunit A Protein P29473 (NOS3_BOVIN)search
442 91%
Heterogens
Chain Id Name Ligands
A, B PROTOPORPHYRIN IX CONTAINING FE HEM search
A, B 5,6,7,8-TETRAHYDROBIOPTERIN H4B search
A, B 3,5-BIS[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]BENZONITRILE 1EV search
A, B ACETATE ION ACT search
A, B GLYCEROL GOL search
A, B CACODYLIC ACID CAD search
A ZINC ION ZN search
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