Iron in PDB 6r3y: M.Tuberculosis Nitrobindin with A Cyanide Molecule Coordinated to the Heme Iron Atom

The structure of M.Tuberculosis Nitrobindin with A Cyanide Molecule Coordinated to the Heme Iron Atom, PDB code: 6r3y was solved by G.De Simone, A.Di Masi, F.Polticelli, A.Pesce, M.Nardini, M.Bolognesi, C.Ciaccio, M.Coletta, E.S.Turilli, M.Fasano, L.Tognaccini, G.Smulevich, S.Abbruzzetti, C.Viappiani, S.Bruno, P.Ascenzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.00 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	60.818, 74.383, 80.513, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 20.2

The binding sites of Iron atom in the M.Tuberculosis Nitrobindin with A Cyanide Molecule Coordinated to the Heme Iron Atom (pdb code 6r3y). 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 M.Tuberculosis Nitrobindin with A Cyanide Molecule Coordinated to the Heme Iron Atom, PDB code: 6r3y:

Iron binding site 1 out of 1 in the M.Tuberculosis Nitrobindin with A Cyanide Molecule Coordinated to the Heme Iron Atom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of M.Tuberculosis Nitrobindin with A Cyanide Molecule Coordinated to the Heme Iron Atom within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:12.8 occ:1.00 FE A:HEM200 0.0 12.8 1.0 ND A:HEM200 2.0 13.0 1.0 NA A:HEM200 2.0 12.6 1.0 NC A:HEM200 2.1 11.7 1.0 NB A:HEM200 2.1 13.0 1.0 NE2 A:HIS155 2.2 10.9 1.0 C A:CYN201 2.2 12.8 1.0 C4D A:HEM200 3.0 15.6 1.0 C1D A:HEM200 3.0 13.4 1.0 C1A A:HEM200 3.0 14.8 1.0 C4C A:HEM200 3.0 12.6 1.0 C4A A:HEM200 3.0 13.8 1.0 C1C A:HEM200 3.1 11.7 1.0 C4B A:HEM200 3.1 11.9 1.0 C1B A:HEM200 3.1 12.6 1.0 CE1 A:HIS155 3.1 10.0 1.0 CD2 A:HIS155 3.3 8.6 1.0 CHD A:HEM200 3.4 12.5 1.0 N A:CYN201 3.4 29.1 1.0 CHA A:HEM200 3.4 16.4 1.0 CHB A:HEM200 3.5 12.2 1.0 CHC A:HEM200 3.5 12.0 1.0 C2A A:HEM200 4.2 15.9 1.0 C3A A:HEM200 4.2 13.7 1.0 C2D A:HEM200 4.2 14.4 1.0 C3D A:HEM200 4.2 15.2 1.0 C3C A:HEM200 4.3 11.9 1.0 C2C A:HEM200 4.3 11.0 1.0 ND1 A:HIS155 4.3 9.5 1.0 C2B A:HEM200 4.3 12.0 1.0 C3B A:HEM200 4.3 11.3 1.0 CG A:HIS155 4.4 9.3 1.0

G.De Simone, A.Di Masi, F.Polticelli, A.Pesce, M.Nardini, M.Bolognesi, C.Ciaccio, M.Coletta, E.S.Turilli, M.Fasano, L.Tognaccini, G.Smulevich, S.Abbruzzetti, C.Viappiani, S.Bruno, P.Ascenzi. Mycobacterial and Human Nitrobindins: Structure and Function To Be Published.