Iron in PDB 3zjq: M.Acetivorans Protoglobin in Complex with Nicotinamide

The structure of M.Acetivorans Protoglobin in Complex with Nicotinamide, PDB code: 3zjq 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)	79.01 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.530, 48.210, 81.010, 90.00, 102.75, 90.00
R / Rfree (%)	17.653 / 21.138

The binding sites of Iron atom in the M.Acetivorans Protoglobin in Complex with Nicotinamide (pdb code 3zjq). 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 in Complex with Nicotinamide, PDB code: 3zjq:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the M.Acetivorans Protoglobin in Complex with Nicotinamide


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 in Complex with Nicotinamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:5.6 occ:1.00 FE A:HEM200 0.0 5.6 1.0 NA A:HEM200 2.0 3.6 1.0 NC A:HEM200 2.0 4.4 1.0 NB A:HEM200 2.0 5.1 1.0 ND A:HEM200 2.0 4.5 1.0 NE2 A:HIS120 2.1 3.9 1.0 N1 A:NCA300 2.1 15.8 1.0 C6 A:NCA300 3.0 17.0 1.0 C4C A:HEM200 3.0 5.0 1.0 C4A A:HEM200 3.0 4.4 1.0 C4D A:HEM200 3.0 5.6 1.0 C1B A:HEM200 3.0 4.5 1.0 C1A A:HEM200 3.0 5.5 1.0 C1D A:HEM200 3.0 4.9 1.0 CE1 A:HIS120 3.1 5.0 1.0 C1C A:HEM200 3.1 5.4 1.0 C4B A:HEM200 3.1 5.0 1.0 CD2 A:HIS120 3.1 5.3 1.0 C2 A:NCA300 3.1 17.2 1.0 CHD A:HEM200 3.3 4.8 1.0 CHB A:HEM200 3.4 5.0 1.0 CHA A:HEM200 3.4 4.5 1.0 CHC A:HEM200 3.4 5.2 1.0 ND1 A:HIS120 4.2 6.1 1.0 CG A:HIS120 4.2 5.2 1.0 C3A A:HEM200 4.2 4.9 1.0 C3C A:HEM200 4.2 5.2 1.0 C2A A:HEM200 4.3 4.7 1.0 C3D A:HEM200 4.3 5.2 1.0 C2B A:HEM200 4.3 5.1 1.0 C2C A:HEM200 4.3 5.1 1.0 C2D A:HEM200 4.3 5.4 1.0 C3B A:HEM200 4.3 5.0 1.0 C5 A:NCA300 4.3 17.7 1.0 C3 A:NCA300 4.4 19.0 1.0 C4 A:NCA300 4.9 18.0 1.0

Iron binding site 2 out of 2 in the M.Acetivorans Protoglobin in Complex with Nicotinamide


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 in Complex with Nicotinamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:4.6 occ:1.00 FE B:HEM200 0.0 4.6 1.0 NC B:HEM200 2.0 3.3 1.0 NA B:HEM200 2.0 3.3 1.0 NB B:HEM200 2.0 4.5 1.0 ND B:HEM200 2.1 4.2 1.0 N1 B:NCA300 2.1 11.7 1.0 NE2 B:HIS120 2.1 5.3 1.0 C6 B:NCA300 2.9 11.6 1.0 C4C B:HEM200 3.0 4.5 1.0 C2 B:NCA300 3.0 12.6 1.0 C1C B:HEM200 3.0 5.2 1.0 C1A B:HEM200 3.0 3.9 1.0 C4B B:HEM200 3.0 3.9 1.0 C4D B:HEM200 3.0 4.0 1.0 C4A B:HEM200 3.0 3.5 1.0 C1D B:HEM200 3.0 4.8 1.0 C1B B:HEM200 3.1 4.1 1.0 CD2 B:HIS120 3.1 4.7 1.0 CE1 B:HIS120 3.1 5.9 1.0 CHD B:HEM200 3.3 4.1 1.0 CHA B:HEM200 3.4 3.6 1.0 CHC B:HEM200 3.4 5.0 1.0 CHB B:HEM200 3.4 4.5 1.0 ND1 B:HIS120 4.2 5.9 1.0 CG B:HIS120 4.2 5.1 1.0 C3C B:HEM200 4.2 4.9 1.0 C2C B:HEM200 4.2 4.5 1.0 C3A B:HEM200 4.3 3.9 1.0 C5 B:NCA300 4.3 12.9 1.0 C2A B:HEM200 4.3 3.1 1.0 C3B B:HEM200 4.3 3.9 1.0 C3D B:HEM200 4.3 4.4 1.0 C2B B:HEM200 4.3 4.4 1.0 C2D B:HEM200 4.3 4.3 1.0 C3 B:NCA300 4.3 13.9 1.0 C4 B:NCA300 4.8 13.3 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