Iron in PDB 3zol: M.Acetivorans Protoglobin F93Y Mutant in Complex with Cyanide

The structure of M.Acetivorans Protoglobin F93Y Mutant in Complex with Cyanide, PDB code: 3zol was solved by L.Tilleman, S.Abbruzzetti, C.Ciaccio, G.De Sanctis, M.Nardini, A.Pesce, F.Desmet, L.Moens, S.Van Doorslaer, S.Bruno, M.Bolognesi, P.Ascenzi, M.Coletta, C.Viappiani, S.Dewilde, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.14 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.740, 48.150, 80.440, 90.00, 94.97, 90.00
R / Rfree (%)	14.247 / 18.309

The binding sites of Iron atom in the M.Acetivorans Protoglobin F93Y Mutant in Complex with Cyanide (pdb code 3zol). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the M.Acetivorans Protoglobin F93Y Mutant in Complex with Cyanide, PDB code: 3zol:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the M.Acetivorans Protoglobin F93Y Mutant in Complex with Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of M.Acetivorans Protoglobin F93Y Mutant in Complex with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:8.0 occ:1.00 FE A:HEM200 0.0 8.0 1.0 NA A:HEM200 2.0 6.2 1.0 NC A:HEM200 2.0 6.9 1.0 NB A:HEM200 2.0 6.9 1.0 ND A:HEM200 2.0 7.1 1.0 C A:CYN201 2.0 10.6 1.0 NE2 A:HIS120 2.1 5.6 1.0 C4A A:HEM200 3.0 8.1 1.0 C1A A:HEM200 3.0 8.1 1.0 C4D A:HEM200 3.0 7.2 1.0 C4C A:HEM200 3.0 7.8 1.0 C1C A:HEM200 3.0 7.9 1.0 C1B A:HEM200 3.0 7.8 1.0 C1D A:HEM200 3.0 6.8 1.0 C4B A:HEM200 3.0 7.7 1.0 CE1 A:HIS120 3.1 7.3 1.0 N A:CYN201 3.1 13.4 1.0 CD2 A:HIS120 3.1 5.9 1.0 CHB A:HEM200 3.4 8.0 1.0 CHA A:HEM200 3.4 8.3 1.0 CHD A:HEM200 3.4 7.6 1.0 CHC A:HEM200 3.4 8.0 1.0 ND1 A:HIS120 4.2 6.6 1.0 C3A A:HEM200 4.2 6.8 1.0 C2A A:HEM200 4.2 7.9 1.0 C3C A:HEM200 4.2 8.1 1.0 C2C A:HEM200 4.2 8.0 1.0 C3D A:HEM200 4.2 7.7 1.0 CG A:HIS120 4.2 7.2 1.0 C2D A:HEM200 4.3 7.4 1.0 C2B A:HEM200 4.3 8.0 1.0 C3B A:HEM200 4.3 7.9 1.0

Iron binding site 2 out of 2 in the M.Acetivorans Protoglobin F93Y Mutant in Complex with Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of M.Acetivorans Protoglobin F93Y Mutant in Complex with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:8.9 occ:1.00 FE B:HEM200 0.0 8.9 1.0 NA B:HEM200 2.0 6.8 1.0 NC B:HEM200 2.0 7.5 1.0 ND B:HEM200 2.0 7.9 1.0 NB B:HEM200 2.0 7.9 1.0 C B:CYN201 2.1 9.0 1.0 NE2 B:HIS120 2.1 6.0 1.0 C4A B:HEM200 3.0 8.4 1.0 C1A B:HEM200 3.0 7.5 1.0 C4C B:HEM200 3.0 8.1 1.0 C4D B:HEM200 3.0 7.2 1.0 C1C B:HEM200 3.0 8.5 1.0 C4B B:HEM200 3.0 8.5 1.0 C1D B:HEM200 3.0 7.3 1.0 C1B B:HEM200 3.1 8.1 1.0 CD2 B:HIS120 3.1 7.6 1.0 CE1 B:HIS120 3.1 8.1 1.0 N B:CYN201 3.2 11.8 1.0 CHA B:HEM200 3.4 7.8 1.0 CHB B:HEM200 3.4 9.2 1.0 CHC B:HEM200 3.4 8.5 1.0 CHD B:HEM200 3.4 8.2 1.0 C3A B:HEM200 4.2 8.1 1.0 ND1 B:HIS120 4.2 7.7 1.0 C2A B:HEM200 4.2 8.5 1.0 C3C B:HEM200 4.2 8.8 1.0 C2C B:HEM200 4.2 9.0 1.0 CG B:HIS120 4.2 7.6 1.0 C2D B:HEM200 4.2 8.5 1.0 C3D B:HEM200 4.3 7.9 1.0 C3B B:HEM200 4.3 8.9 1.0 C2B B:HEM200 4.3 8.2 1.0

L.Tilleman, S.Abbruzzetti, C.Ciaccio, G.De Sanctis, M.Nardini, A.Pesce, F.Desmet, L.Moens, S.Van Doorslaer, S.Bruno, M.Bolognesi, P.Ascenzi, M.Coletta, C.Viappiani, S.Dewilde. Structural Bases For the Regulation of Co Binding in the Archaeal Protoglobin From Methanosarcina Acetivorans To Be Published.