Iron in PDB 2bhj: Murine Ino Synthase with Coumarin Inhibitor

All present enzymatic activity of Murine Ino Synthase with Coumarin Inhibitor:
1.14.13.39;

The structure of Murine Ino Synthase with Coumarin Inhibitor, PDB code: 2bhj was solved by M.Mathieu, J.P.Guilloteau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.4 / 3.2
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	213.540, 213.540, 115.030, 90.00, 90.00, 120.00
R / Rfree (%)	27.6 / 32.3

The binding sites of Iron atom in the Murine Ino Synthase with Coumarin Inhibitor (pdb code 2bhj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Murine Ino Synthase with Coumarin Inhibitor, PDB code: 2bhj:

Iron binding site 1 out of 1 in the Murine Ino Synthase with Coumarin Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Murine Ino Synthase with Coumarin Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1500 b:63.7 occ:1.00 FE A:HEM1500 0.0 63.7 1.0 ND A:HEM1500 2.0 59.4 1.0 NC A:HEM1500 2.0 78.8 1.0 NB A:HEM1500 2.0 75.2 1.0 NA A:HEM1500 2.0 75.9 1.0 SG A:CYS194 2.6 35.7 1.0 C4D A:HEM1500 3.0 63.2 1.0 C1D A:HEM1500 3.0 60.6 1.0 C1A A:HEM1500 3.0 71.8 1.0 C1C A:HEM1500 3.0 76.9 1.0 C1B A:HEM1500 3.1 77.4 1.0 C4C A:HEM1500 3.1 66.3 1.0 C4A A:HEM1500 3.1 77.3 1.0 C4B A:HEM1500 3.1 76.3 1.0 CHA A:HEM1500 3.4 76.5 1.0 CHD A:HEM1500 3.4 60.6 1.0 C12 A:FC11499 3.4 44.2 1.0 CHB A:HEM1500 3.4 80.0 1.0 CHC A:HEM1500 3.4 81.5 1.0 CB A:CYS194 3.5 52.6 1.0 C8 A:FC11499 3.5 38.4 1.0 C9 A:FC11499 4.0 49.5 1.0 C3 A:FC11499 4.2 40.1 1.0 C3D A:HEM1500 4.2 51.5 1.0 C2D A:HEM1500 4.3 56.3 1.0 C2A A:HEM1500 4.3 61.8 1.0 C3A A:HEM1500 4.3 69.4 1.0 C2B A:HEM1500 4.3 72.5 1.0 C3B A:HEM1500 4.3 79.5 1.0 C2C A:HEM1500 4.3 73.9 1.0 C3C A:HEM1500 4.3 68.6 1.0 CA A:CYS194 4.4 54.8 1.0 C4 A:FC11499 4.6 41.5 1.0 C1 A:FC11499 4.7 37.0 1.0 N A:GLY196 4.9 51.7 1.0 CA A:GLY196 5.0 45.2 1.0

S.A.Jackson, S.Sahni, L.Lee, Y.Luo, T.R.Nieduzak, G.Liang, Y.Chiang, N.Collar, D.Fink, W.He, A.Laoui, J.Merrill, R.Boffey, P.Crackett, B.Rees, M.Wong, J.P.Guilloteau, M.Mathieu, S.S.Rebello. Design, Synthesis and Characterization of A Novel Class of Coumarin-Based Inhibitors of Inducible Nitric Oxide Synthase Bioorg.Med.Chem. V. 13 2723 2005.
ISSN: ISSN 0968-0896
PubMed: 15781384
DOI: 10.1016/J.BMC.2005.02.036