Bromine in PDB 1om5: Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7- Nitroindazole Bound

All present enzymatic activity of Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7- Nitroindazole Bound:
1.14.13.39;

The structure of Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7- Nitroindazole Bound, PDB code: 1om5 was solved by H.Li, P.Martasek, B.S.S.Masters, T.L.Poulos, C.S.Raman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.56 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.700, 110.780, 164.580, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 28

The structure of Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7- Nitroindazole Bound also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Bromine atom in the Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7- Nitroindazole Bound (pdb code 1om5). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7- Nitroindazole Bound, PDB code: 1om5:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7- Nitroindazole Bound


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7- Nitroindazole Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Br790 b:51.6 occ:1.00 BR A:INE790 0.0 51.6 1.0 C3 A:INE790 1.9 45.5 1.0 C9 A:INE790 3.0 48.5 1.0 N2 A:INE790 3.0 49.8 1.0 CD1 A:PHE584 3.5 28.5 1.0 C4 A:INE790 3.5 52.2 1.0 CE1 A:PHE584 3.7 25.9 1.0 O A:PHE584 3.7 34.6 1.0 C1C A:HEM750 3.7 37.5 1.0 CA A:SER585 3.7 35.7 1.0 O A:PRO565 3.8 29.4 1.0 N A:GLY586 3.8 37.5 1.0 NC A:HEM750 3.9 36.0 1.0 C2C A:HEM750 3.9 37.0 1.0 CG2 A:VAL567 4.0 38.6 1.0 C A:SER585 4.0 36.7 1.0 N1 A:INE790 4.1 50.4 1.0 C8 A:INE790 4.1 48.6 1.0 C A:PHE584 4.2 35.8 1.0 C4C A:HEM750 4.2 35.2 1.0 N A:SER585 4.2 36.7 1.0 C3C A:HEM750 4.2 36.2 1.0 CHC A:HEM750 4.2 39.4 1.0 N A:VAL567 4.3 39.5 1.0 C A:PRO565 4.4 33.1 1.0 CMC A:HEM750 4.4 31.2 1.0 CB A:VAL567 4.7 40.1 1.0 CA A:ALA566 4.7 33.6 1.0 CG A:PHE584 4.7 27.0 1.0 CA A:GLY586 4.8 36.3 1.0 FE A:HEM750 4.8 38.9 1.0 N A:ALA566 4.8 32.4 1.0 O A:SER585 4.9 38.2 1.0 CHD A:HEM750 4.9 36.2 1.0 C4B A:HEM750 4.9 38.8 1.0 C5 A:INE790 4.9 53.1 1.0 CB A:SER585 4.9 35.0 1.0 CZ A:PHE584 5.0 26.6 1.0

Bromine binding site 2 out of 2 in the Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7- Nitroindazole Bound


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7- Nitroindazole Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Br791 b:52.7 occ:1.00 BR B:INE791 0.0 52.7 1.0 C3 B:INE791 1.9 50.4 1.0 C9 B:INE791 3.0 52.1 1.0 N2 B:INE791 3.0 53.7 1.0 O B:PHE584 3.4 34.3 1.0 CD1 B:PHE584 3.5 19.6 1.0 C4 B:INE791 3.5 52.0 1.0 CE1 B:PHE584 3.6 16.2 1.0 C1C B:HEM750 3.7 32.8 1.0 O B:PRO565 3.8 31.3 1.0 N B:GLY586 3.8 33.2 1.0 C2C B:HEM750 3.9 32.6 1.0 CA B:SER585 3.9 32.1 1.0 NC B:HEM750 4.0 29.7 1.0 C B:SER585 4.0 35.7 1.0 CHC B:HEM750 4.1 30.8 1.0 N1 B:INE791 4.1 53.8 1.0 C8 B:INE791 4.1 53.9 1.0 C B:PHE584 4.1 29.8 1.0 C3C B:HEM750 4.3 31.5 1.0 N B:VAL567 4.3 30.2 1.0 C4C B:HEM750 4.3 31.4 1.0 N B:SER585 4.4 30.4 1.0 CMC B:HEM750 4.4 30.5 1.0 C B:PRO565 4.5 30.5 1.0 CA B:GLY586 4.6 32.8 1.0 CG2 B:VAL567 4.6 26.8 1.0 CA B:ALA566 4.7 30.3 1.0 C4B B:HEM750 4.7 30.0 1.0 O B:SER585 4.7 36.3 1.0 FE B:HEM750 4.8 33.6 1.0 CG B:PHE584 4.8 21.1 1.0 CB B:VAL567 4.9 31.0 1.0 C5 B:INE791 4.9 53.0 1.0 NB B:HEM750 4.9 29.8 1.0 CZ B:PHE584 4.9 14.9 1.0 N B:ALA566 5.0 29.9 1.0

H.Li, P.Martasek, B.S.S.Masters, T.L.Poulos, C.S.Raman. Structure of Rat Neuronal Nos Heme Domain with 3-Bromo-7-Nitroindazole Bound To Be Published.