Iron in PDB 3r0g: 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F Mutant in Aquomet Form

The structure of 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F Mutant in Aquomet Form, PDB code: 3r0g was solved by A.Pesce, L.Tilleman, S.Dewilde, P.Ascenzi, M.Coletta, C.Ciaccio, S.Bruno, L.Moens, M.Bolognesi, M.Nardini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.64 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.844, 48.368, 80.782, 90.00, 102.50, 90.00
R / Rfree (%)	23.9 / 31.6

The binding sites of Iron atom in the 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F Mutant in Aquomet Form (pdb code 3r0g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F Mutant in Aquomet Form, PDB code: 3r0g:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F Mutant in Aquomet Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F Mutant in Aquomet Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:9.6 occ:1.00 FE A:HEM200 0.0 9.6 1.0 NC A:HEM200 2.0 4.1 1.0 NA A:HEM200 2.0 10.0 1.0 NB A:HEM200 2.0 15.2 1.0 ND A:HEM200 2.1 12.6 1.0 NE2 A:HIS120 2.1 9.0 1.0 O A:HOH209 2.6 3.0 0.5 O A:HOH209 2.9 17.1 0.5 CE1 A:HIS120 2.9 15.8 1.0 C1C A:HEM200 3.0 10.3 1.0 C4C A:HEM200 3.0 10.4 1.0 C1A A:HEM200 3.0 8.8 1.0 C4A A:HEM200 3.0 11.6 1.0 C4B A:HEM200 3.0 14.3 1.0 C1B A:HEM200 3.1 16.3 1.0 C4D A:HEM200 3.1 10.5 1.0 C1D A:HEM200 3.1 13.8 1.0 CD2 A:HIS120 3.2 9.2 1.0 CHC A:HEM200 3.4 13.6 1.0 CHA A:HEM200 3.4 8.4 1.0 CHB A:HEM200 3.4 14.4 1.0 CHD A:HEM200 3.4 11.9 1.0 O A:HOH197 3.6 36.8 1.0 ND1 A:HIS120 4.1 15.4 1.0 C2C A:HEM200 4.2 11.4 1.0 C3C A:HEM200 4.2 10.7 1.0 C2A A:HEM200 4.3 10.5 1.0 C3A A:HEM200 4.3 14.7 1.0 C2B A:HEM200 4.3 14.2 1.0 C3B A:HEM200 4.3 12.9 1.0 CG A:HIS120 4.3 13.9 1.0 C3D A:HEM200 4.3 11.2 1.0 C2D A:HEM200 4.3 11.7 1.0

Iron binding site 2 out of 2 in the 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F Mutant in Aquomet Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F Mutant in Aquomet Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:10.7 occ:1.00 FE B:HEM200 0.0 10.7 1.0 NC B:HEM200 2.0 5.1 1.0 NA B:HEM200 2.0 9.9 1.0 ND B:HEM200 2.1 10.7 1.0 NB B:HEM200 2.1 12.4 1.0 NE2 B:HIS120 2.1 13.3 1.0 O B:HOH198 2.9 38.9 1.0 C1C B:HEM200 3.0 9.7 1.0 C1A B:HEM200 3.0 12.2 1.0 C4D B:HEM200 3.0 8.9 1.0 C4C B:HEM200 3.0 9.2 1.0 C4A B:HEM200 3.1 12.8 1.0 C1D B:HEM200 3.1 12.4 1.0 C4B B:HEM200 3.1 13.8 1.0 CD2 B:HIS120 3.1 8.4 1.0 C1B B:HEM200 3.1 10.9 1.0 CE1 B:HIS120 3.1 15.9 1.0 CHA B:HEM200 3.4 10.6 1.0 CHC B:HEM200 3.4 12.1 1.0 CHD B:HEM200 3.4 10.3 1.0 CHB B:HEM200 3.4 11.0 1.0 C2C B:HEM200 4.2 10.4 1.0 C3C B:HEM200 4.2 11.8 1.0 C2A B:HEM200 4.2 16.7 1.0 C3D B:HEM200 4.2 15.1 1.0 C3A B:HEM200 4.2 15.0 1.0 ND1 B:HIS120 4.2 10.9 1.0 C2D B:HEM200 4.3 14.2 1.0 CG B:HIS120 4.3 13.5 1.0 C3B B:HEM200 4.3 11.1 1.0 C2B B:HEM200 4.3 12.0 1.0 CE1 B:PHE93 4.8 32.1 1.0

A.Pesce, L.Tilleman, S.Dewilde, P.Ascenzi, M.Coletta, C.Ciaccio, S.Bruno, L.Moens, M.Bolognesi, M.Nardini. Structural Heterogeneity and Ligand Gating in Ferric Methanosarcina Acetivorans Protoglobin Mutants. Iubmb Life V. 63 287 2011.
ISSN: ISSN 1521-6543
PubMed: 21618401
DOI: 10.1002/IUB.484