Iron in PDB 3zjr: M.Acetivorans Protoglobin in Complex with Cyanide and Xenon

The structure of M.Acetivorans Protoglobin in Complex with Cyanide and Xenon, PDB code: 3zjr 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)	42.37 / 3.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.498, 50.169, 51.389, 90.00, 100.27, 90.00
R / Rfree (%)	20.41 / 30.621

The structure of M.Acetivorans Protoglobin in Complex with Cyanide and Xenon also contains other interesting chemical elements:

Xenon

(Xe)

1 atom

The binding sites of Iron atom in the M.Acetivorans Protoglobin in Complex with Cyanide and Xenon (pdb code 3zjr). 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.Acetivorans Protoglobin in Complex with Cyanide and Xenon, PDB code: 3zjr:

Iron binding site 1 out of 1 in the M.Acetivorans Protoglobin in Complex with Cyanide and Xenon


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 Cyanide and Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:40.4 occ:1.00 FE A:HEM200 0.0 40.4 1.0 NA A:HEM200 2.0 42.3 1.0 ND A:HEM200 2.0 41.6 1.0 NC A:HEM200 2.1 40.2 1.0 NB A:HEM200 2.1 41.2 1.0 NE2 A:HIS120 2.3 36.2 1.0 C A:CYN201 2.8 39.5 1.0 C1D A:HEM200 3.0 41.9 1.0 C1A A:HEM200 3.0 43.0 1.0 C4D A:HEM200 3.0 42.4 1.0 C4A A:HEM200 3.0 43.3 1.0 C4C A:HEM200 3.1 39.7 1.0 C1C A:HEM200 3.1 39.1 1.0 C4B A:HEM200 3.1 40.7 1.0 C1B A:HEM200 3.1 41.3 1.0 CD2 A:HIS120 3.2 37.9 1.0 CE1 A:HIS120 3.3 36.6 1.0 CHD A:HEM200 3.3 41.3 1.0 CHA A:HEM200 3.3 43.2 1.0 CHB A:HEM200 3.4 42.8 1.0 CHC A:HEM200 3.4 40.5 1.0 N A:CYN201 3.9 39.0 1.0 C2D A:HEM200 4.2 42.9 1.0 C3D A:HEM200 4.2 42.5 1.0 C2A A:HEM200 4.2 43.9 1.0 C3A A:HEM200 4.3 43.3 1.0 C3C A:HEM200 4.3 37.4 1.0 C2C A:HEM200 4.3 37.6 1.0 C3B A:HEM200 4.3 40.2 1.0 C2B A:HEM200 4.3 39.9 1.0 ND1 A:HIS120 4.3 37.5 1.0 CG A:HIS120 4.4 40.8 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