Iron in PDB 2w31: Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor

The structure of Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor, PDB code: 2w31 was solved by A.Pesce, L.Thijs, M.Nardini, F.Desmet, L.Sisinni, L.Gourlay, A.Bolli, M.Coletta, S.Van Doorslaer, X.Wan, M.Alam, P.Ascenzi, L.Moens, M.Bolognesi, S.Dewilde, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.14 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.634, 73.830, 89.872, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.7

The binding sites of Iron atom in the Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor (pdb code 2w31). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor, PDB code: 2w31:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:18.5 occ:1.00 FE A:HEM200 0.0 18.5 1.0 NE2 A:HIS93 1.9 9.0 0.5 NC A:HEM200 2.0 16.0 1.0 NA A:HEM200 2.0 17.8 1.0 NB A:HEM200 2.0 14.6 1.0 ND A:HEM200 2.1 18.5 1.0 NE2 A:HIS66 2.1 17.1 1.0 NE2 A:HIS93 2.3 23.8 0.5 CE1 A:HIS93 2.8 13.6 0.5 CD2 A:HIS93 3.0 11.5 0.5 C1C A:HEM200 3.0 15.1 1.0 C4C A:HEM200 3.0 16.7 1.0 C4B A:HEM200 3.0 14.1 1.0 C1B A:HEM200 3.0 15.9 1.0 C1A A:HEM200 3.0 19.9 1.0 CD2 A:HIS66 3.0 16.6 1.0 C4A A:HEM200 3.0 18.5 1.0 C1D A:HEM200 3.1 19.6 1.0 C4D A:HEM200 3.1 21.2 1.0 CE1 A:HIS66 3.1 21.4 1.0 CE1 A:HIS93 3.3 23.2 0.5 CD2 A:HIS93 3.3 22.5 0.5 CHC A:HEM200 3.4 13.8 1.0 CHA A:HEM200 3.4 21.1 1.0 CHB A:HEM200 3.4 17.5 1.0 CHD A:HEM200 3.4 18.8 1.0 ND1 A:HIS93 3.9 14.4 0.5 CG A:HIS93 4.1 16.1 0.5 ND1 A:HIS66 4.2 21.4 1.0 CG A:HIS66 4.2 18.1 1.0 C2C A:HEM200 4.3 15.4 1.0 C3C A:HEM200 4.3 15.9 1.0 C2B A:HEM200 4.3 14.5 1.0 C3B A:HEM200 4.3 13.4 1.0 C2A A:HEM200 4.3 20.3 1.0 C3A A:HEM200 4.3 19.3 1.0 C2D A:HEM200 4.3 21.8 1.0 C3D A:HEM200 4.3 22.6 1.0 ND1 A:HIS93 4.4 22.6 0.5 CG A:HIS93 4.5 21.6 0.5

Iron binding site 2 out of 2 in the Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:10.1 occ:1.00 FE B:HEM200 0.0 10.1 1.0 NC B:HEM200 2.0 8.9 1.0 NB B:HEM200 2.0 8.9 1.0 ND B:HEM200 2.0 10.4 1.0 NA B:HEM200 2.0 9.2 1.0 NE2 B:HIS93 2.1 9.7 1.0 NE2 B:HIS66 2.1 12.2 0.5 NE2 B:HIS66 2.2 8.3 0.5 CE1 B:HIS93 3.0 11.9 1.0 C1C B:HEM200 3.0 8.9 1.0 C4B B:HEM200 3.0 9.6 1.0 C1B B:HEM200 3.0 8.6 1.0 C1D B:HEM200 3.0 10.1 1.0 C4C B:HEM200 3.0 10.2 1.0 CD2 B:HIS66 3.0 9.2 0.5 CE1 B:HIS66 3.1 12.9 0.5 C4D B:HEM200 3.1 10.9 1.0 C1A B:HEM200 3.1 11.7 1.0 C4A B:HEM200 3.1 9.9 1.0 CD2 B:HIS93 3.1 10.0 1.0 CD2 B:HIS66 3.1 13.3 0.5 CE1 B:HIS66 3.2 10.2 0.5 CHC B:HEM200 3.4 9.6 1.0 CHB B:HEM200 3.4 9.8 1.0 CHD B:HEM200 3.4 12.4 1.0 CHA B:HEM200 3.5 13.1 1.0 ND1 B:HIS93 4.1 12.4 1.0 ND1 B:HIS66 4.2 13.0 0.5 CG B:HIS93 4.2 10.2 1.0 CG B:HIS66 4.2 9.0 0.5 CG B:HIS66 4.3 12.5 0.5 C3B B:HEM200 4.3 9.7 1.0 ND1 B:HIS66 4.3 9.3 0.5 C2C B:HEM200 4.3 9.7 1.0 C3C B:HEM200 4.3 9.1 1.0 C2B B:HEM200 4.3 8.2 1.0 C2A B:HEM200 4.3 11.1 1.0 C3D B:HEM200 4.3 13.7 1.0 C2D B:HEM200 4.3 12.4 1.0 C3A B:HEM200 4.3 11.6 1.0 CD1 B:LEU62 4.5 15.5 0.3

A.Pesce, L.Thijs, M.Nardini, F.Desmet, L.Sisinni, L.Gourlay, A.Bolli, M.Coletta, S.Van Doorslaer, X.Wan, M.Alam, P.Ascenzi, L.Moens, M.Bolognesi, S.Dewilde. HISE11 and HISF8 Provide Bis-Histidyl Heme Hexa-Coordination in the Globin Domain of Geobacter Sulfurreducens Globin-Coupled Sensor. J.Mol.Biol. V. 386 246 2009.
ISSN: ISSN 0022-2836
PubMed: 19109973
DOI: 10.1016/J.JMB.2008.12.023