4k5d Summary details

pdbe.org/4k5d/summary_details
spacer Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine
Summary
Header OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITORsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 2.096 Å, R-factor: 19.195%, Free R-factor: 23.27%, Spacegroup: P 21 21 21
Released 18/09/2013, deposition: 14/04/2013, last revision: 02/10/2013
Authors Li, H.search; Poulos, T.L.search
Primary citation Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
BIOORG.MED.CHEM.LETT.search vol:23, pag:5674-5679 (2013) [PubMed 23993333 ]search
Keywords nitric oxide synthasesearch, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complexsearch
EC 1.14.13.39 ExPASy BRENDA search (B A)
Organism Rattus norvegicus(Norway rat) 10116search(A B)
UniProt P29476search (A B)
Solvent A, B
Related entries 4k5e, 4k5f, 4k5g, 4k5h, 4k5i, 4k5j, 4k5k
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A, B Nitric oxide synthase, brain Protein P29476 (NOS1_RAT)search
422 97%
Heterogens
Chain Id Name Ligands
A, B PROTOPORPHYRIN IX CONTAINING FE HEM search
A, B 5,6,7,8-TETRAHYDROBIOPTERIN H4B search
A, B ACETATE ION ACT search
A, B 6,6'-{[(2S)-3-AMINOPROPANE-1,2-DIYL]BIS(OXYMETHANEDIYL)}BIS(4-METHYLPYRIDIN-2-AMINE) 1Q6 search
A ZINC ION ZN search
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