Bromine in the structure of Inducible Nitric Oxide Synthase With 3-Bromo-7-Nitroindazole Bound (pdb 1m9t)

The binding sites of Bromine atom in the structure of Inducible Nitric Oxide Synthase With 3-Bromo-7-Nitroindazole Bound (pdb code 1m9t). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1m9t structure was solved by R.J.ROSENFELD, E.D.GARCIN, K.PANDA, G.ANDERSSON, A.ABERG, A.V.WALLACE, D.J.STUEHR, J.A.TAINER, E.D.GETZOFF, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.9-2.4 Space group P6122 a (A) 214.422 b (A) 214.422 c (A) 113.267 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 25 Rfree (%) 28.4 Bromine Binding Sites: Bromine binding site 1 out of 2 in 1m9t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1m9t. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Pro344, A: Ala345, A: Val346, A: Phe363, A: Asn364, A: Gly365, A: Hem901, A: Ine906, conact list: Atom Atom Distance (A) Br O A:Pro344 3.94 Br C A:Pro344 4.71 Br CA A:Ala345 4.95 Br N A:Val346 4.44 Br CB A:Val346 4.73 Br CG2 A:Val346 4.15 Br O A:Phe363 3.83 Br CD1 A:Phe363 3.60 Br C A:Phe363 4.32 Br CE1 A:Phe363 3.71 Br CG A:Phe363 4.88 Br O A:Asn364 4.79 Br N A:Asn364 4.27 Br CB A:Asn364 4.90 Br C A:Asn364 3.89 Br CA A:Asn364 3.68 Br N A:Gly365 3.70 Br CA A:Gly365 4.61 Br NC A:Hem901 3.57 Br CHC A:Hem901 4.26 Br C1D A:Hem901 4.77 Br C4B A:Hem901 4.68 Br C4C A:Hem901 3.84 Br C1C A:Hem901 3.70 Br C2C A:Hem901 4.07 Br ND A:Hem901 4.61 Br CHD A:Hem901 4.43 Br NB A:Hem901 4.58 Br FE A:Hem901 4.43 Br C3C A:Hem901 4.15 Br CMC A:Hem901 4.93 Br N1 A:Ine906 3.91 Br C9 A:Ine906 2.87 Br N2 A:Ine906 2.77 Br C4 A:Ine906 3.52 Br BR A:Ine906 0.00 Br C3 A:Ine906 1.75 Br C8 A:Ine906 4.04 interactive model: Bromine binding site 2 out of 2 in 1m9t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1m9t. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Pro344, B: Ala345, B: Val346, B: Phe363, B: Asn364, B: Gly365, B: Hem901, B: Ine907, conact list: Atom Atom Distance (A) Br O B:Pro344 3.95 Br C B:Pro344 4.72 Br CA B:Ala345 4.98 Br N B:Val346 4.45 Br CB B:Val346 4.75 Br CG2 B:Val346 4.10 Br O B:Phe363 3.85 Br CD1 B:Phe363 3.62 Br C B:Phe363 4.36 Br CE1 B:Phe363 3.72 Br CG B:Phe363 4.92 Br O B:Asn364 4.83 Br N B:Asn364 4.35 Br CB B:Asn364 4.94 Br C B:Asn364 3.96 Br CA B:Asn364 3.75 Br N B:Gly365 3.76 Br CA B:Gly365 4.66 Br NC B:Hem901 3.60 Br CHC B:Hem901 4.31 Br C1D B:Hem901 4.67 Br C4B B:Hem901 4.68 Br C4C B:Hem901 3.83 Br C1C B:Hem901 3.76 Br C2C B:Hem901 4.10 Br ND B:Hem901 4.52 Br CHD B:Hem901 4.35 Br NB B:Hem901 4.51 Br FE B:Hem901 4.37 Br C3C B:Hem901 4.18 Br CMC B:Hem901 4.92 Br N1 B:Ine907 3.90 Br C9 B:Ine907 2.84 Br C5 B:Ine907 4.97 Br N2 B:Ine907 2.76 Br C4 B:Ine907 3.48 Br BR B:Ine907 0.00 Br C3 B:Ine907 1.74 Br C8 B:Ine907 4.02 interactive model: