Iron in PDB 3zjh: Trp(60)B9ALA Mutation of M.Acetivorans Protoglobin in Complex with Cyanide

The structure of Trp(60)B9ALA Mutation of M.Acetivorans Protoglobin in Complex with Cyanide, PDB code: 3zjh was solved by A.Pesce, L.Tilleman, J.Donne, E.Aste, P.Ascenzi, C.Ciaccio, M.Coletta, L.Moens, C.Viappiani, S.Dewilde, M.Bolognesi, M.Nardini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.36 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.510, 47.660, 80.220, 90.00, 107.22, 90.00
R / Rfree (%)	14.876 / 21.487

The binding sites of Iron atom in the Trp(60)B9ALA Mutation of M.Acetivorans Protoglobin in Complex with Cyanide (pdb code 3zjh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Trp(60)B9ALA Mutation of M.Acetivorans Protoglobin in Complex with Cyanide, PDB code: 3zjh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Trp(60)B9ALA Mutation of M.Acetivorans Protoglobin 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 Trp(60)B9ALA Mutation of M.Acetivorans Protoglobin in Complex with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:6.4 occ:1.00 FE A:HEM200 0.0 6.4 1.0 NA A:HEM200 2.0 8.2 1.0 NC A:HEM200 2.0 7.2 1.0 ND A:HEM200 2.0 7.6 1.0 NB A:HEM200 2.0 6.4 1.0 NE2 A:HIS120 2.1 3.9 1.0 C A:CYN201 2.3 9.7 1.0 C1A A:HEM200 3.0 4.3 1.0 C4A A:HEM200 3.0 7.4 1.0 C4C A:HEM200 3.0 6.2 1.0 C4D A:HEM200 3.0 6.5 1.0 C1D A:HEM200 3.0 5.5 1.0 C1C A:HEM200 3.0 5.6 1.0 CD2 A:HIS120 3.0 4.9 1.0 CE1 A:HIS120 3.0 8.5 1.0 C4B A:HEM200 3.0 5.5 1.0 C1B A:HEM200 3.1 6.6 1.0 N A:CYN201 3.3 19.0 1.0 CHA A:HEM200 3.4 4.8 1.0 CHD A:HEM200 3.4 9.6 1.0 CHC A:HEM200 3.4 7.6 1.0 CHB A:HEM200 3.4 6.1 1.0 ND1 A:HIS120 4.2 9.2 1.0 CG A:HIS120 4.2 7.5 1.0 C3A A:HEM200 4.2 6.2 1.0 C2A A:HEM200 4.2 5.6 1.0 C3C A:HEM200 4.2 7.1 1.0 C2C A:HEM200 4.2 4.8 1.0 C3D A:HEM200 4.2 4.3 1.0 C2D A:HEM200 4.2 7.8 1.0 C3B A:HEM200 4.3 6.3 1.0 C2B A:HEM200 4.3 6.6 1.0

Iron binding site 2 out of 2 in the Trp(60)B9ALA Mutation of M.Acetivorans Protoglobin 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 Trp(60)B9ALA Mutation of M.Acetivorans Protoglobin in Complex with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:6.0 occ:1.00 FE B:HEM200 0.0 6.0 1.0 NA B:HEM200 2.0 7.5 1.0 NC B:HEM200 2.0 5.9 1.0 ND B:HEM200 2.0 6.5 1.0 NB B:HEM200 2.0 6.0 1.0 NE2 B:HIS120 2.1 5.8 1.0 C B:CYN201 2.3 13.7 1.0 C4C B:HEM200 3.0 4.8 1.0 C4A B:HEM200 3.0 5.2 1.0 C1D B:HEM200 3.0 5.9 1.0 C1A B:HEM200 3.0 6.1 1.0 C4D B:HEM200 3.0 4.5 1.0 CE1 B:HIS120 3.0 7.1 1.0 C1B B:HEM200 3.0 6.3 1.0 N B:CYN201 3.1 18.2 1.0 C1C B:HEM200 3.1 4.6 1.0 CD2 B:HIS120 3.1 6.1 1.0 C4B B:HEM200 3.1 5.8 1.0 CHD B:HEM200 3.3 7.7 1.0 CHB B:HEM200 3.4 5.6 1.0 CHA B:HEM200 3.4 4.8 1.0 CHC B:HEM200 3.5 7.5 1.0 ND1 B:HIS120 4.1 6.3 1.0 CG B:HIS120 4.2 5.3 1.0 C3C B:HEM200 4.2 5.4 1.0 C3A B:HEM200 4.2 4.8 1.0 C2A B:HEM200 4.2 5.5 1.0 C3D B:HEM200 4.2 4.2 1.0 C2D B:HEM200 4.2 4.9 1.0 C2C B:HEM200 4.2 3.5 1.0 C2B B:HEM200 4.3 7.6 1.0 C3B B:HEM200 4.3 6.1 1.0

A.Pesce, L.Tilleman, J.Donne, E.Aste, P.Ascenzi, C.Ciaccio, M.Coletta, L.Moens, C.Viappiani, S.Dewilde, M.Bolognesi, M.Nardini. Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin. Plos One V. 8 66144 2013.
ISSN: ISSN 1932-6203
PubMed: 23776624
DOI: 10.1371/JOURNAL.PONE.0066144