Iron in PDB 4uii: Crystal Structure of the Azotobacter Vinelandii Globin- Coupled Oxygen Sensor in the Aquo-Met Form

All present enzymatic activity of Crystal Structure of the Azotobacter Vinelandii Globin- Coupled Oxygen Sensor in the Aquo-Met Form:
2.7.7.65;

The structure of Crystal Structure of the Azotobacter Vinelandii Globin- Coupled Oxygen Sensor in the Aquo-Met Form, PDB code: 4uii was solved by F.Germani, A.De Schutter, A.Pesce, H.Berghmans, M.-L.Van Hauwaert, B.Cuypers, S.Bruno, A.Mozzarelli, L.Moens, S.Van Doorslaer, M.Bolognesi, M.Nardini, S.Dewilde, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.461 / 2.83
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.890, 49.490, 62.770, 90.00, 91.81, 90.00
R / Rfree (%)	25.25 / 29.67

The binding sites of Iron atom in the Crystal Structure of the Azotobacter Vinelandii Globin- Coupled Oxygen Sensor in the Aquo-Met Form (pdb code 4uii). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Azotobacter Vinelandii Globin- Coupled Oxygen Sensor in the Aquo-Met Form, PDB code: 4uii:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Azotobacter Vinelandii Globin- Coupled Oxygen Sensor in the Aquo-Met Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Azotobacter Vinelandii Globin- Coupled Oxygen Sensor in the Aquo-Met Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:0.8 occ:1.00 FE A:HEM200 0.0 0.8 1.0 NB A:HEM200 1.9 0.6 1.0 NA A:HEM200 2.1 0.7 1.0 NC A:HEM200 2.1 0.7 1.0 ND A:HEM200 2.1 0.8 1.0 NE2 A:HIS101 2.4 95.5 1.0 O A:HOH2002 2.8 88.3 1.0 C1B A:HEM200 3.0 0.5 1.0 C4B A:HEM200 3.0 1.0 1.0 C4A A:HEM200 3.1 0.2 1.0 CE1 A:HIS101 3.1 96.7 1.0 C1C A:HEM200 3.1 0.2 1.0 C1D A:HEM200 3.1 0.2 1.0 C4C A:HEM200 3.1 0.8 1.0 C1A A:HEM200 3.1 0.1 1.0 C4D A:HEM200 3.1 0.2 1.0 CHB A:HEM200 3.4 0.9 1.0 CHC A:HEM200 3.4 0.4 1.0 CHD A:HEM200 3.5 0.6 1.0 CHA A:HEM200 3.5 0.2 1.0 CD2 A:HIS101 3.6 99.8 1.0 C2B A:HEM200 4.2 95.1 1.0 C3B A:HEM200 4.2 98.5 1.0 C3A A:HEM200 4.3 0.9 1.0 ND1 A:HIS101 4.3 97.8 1.0 C2C A:HEM200 4.3 0.1 1.0 C2A A:HEM200 4.4 0.2 1.0 C3C A:HEM200 4.4 0.9 1.0 C2D A:HEM200 4.4 0.7 1.0 C3D A:HEM200 4.4 0.6 1.0 CG A:HIS101 4.6 0.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Azotobacter Vinelandii Globin- Coupled Oxygen Sensor in the Aquo-Met Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Azotobacter Vinelandii Globin- Coupled Oxygen Sensor in the Aquo-Met Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:90.7 occ:1.00 FE B:HEM200 0.0 90.7 1.0 NB B:HEM200 2.0 91.7 1.0 ND B:HEM200 2.0 0.3 1.0 NA B:HEM200 2.1 95.2 1.0 NC B:HEM200 2.1 88.3 1.0 NE2 B:HIS101 2.5 95.3 1.0 CE1 B:HIS101 3.0 92.9 1.0 C1D B:HEM200 3.0 0.5 1.0 C1B B:HEM200 3.0 91.7 1.0 C4A B:HEM200 3.0 94.0 1.0 C4B B:HEM200 3.1 88.0 1.0 C4C B:HEM200 3.1 92.1 1.0 C4D B:HEM200 3.1 0.3 1.0 C1C B:HEM200 3.1 92.4 1.0 C1A B:HEM200 3.1 99.5 1.0 O B:HOH2001 3.3 64.8 1.0 CHB B:HEM200 3.3 94.1 1.0 CHD B:HEM200 3.4 0.2 1.0 CHC B:HEM200 3.5 88.8 1.0 CHA B:HEM200 3.5 0.6 1.0 CD2 B:HIS101 3.7 98.8 1.0 ND1 B:HIS101 4.2 93.9 1.0 C2B B:HEM200 4.2 84.0 1.0 C2D B:HEM200 4.2 0.7 1.0 C3A B:HEM200 4.3 93.7 1.0 C3B B:HEM200 4.3 88.9 1.0 C3C B:HEM200 4.3 95.2 1.0 C2C B:HEM200 4.3 95.2 1.0 C3D B:HEM200 4.3 0.4 1.0 C2A B:HEM200 4.3 95.9 1.0 CG B:HIS101 4.6 97.2 1.0

F.Germani, A.De Schutter, A.Pesce, H.Berghmans, M.-L.Van Hauwaert, B.Cuypers, S.Bruno, A.Mozzarelli, L.Moens, S.Van Doorslaer, M.Bolognesi, M.Nardini, S.Dewilde. Azotobacter Vinelandii Globin-Coupled Oxygen Sensor Is A Diguanylate Cyclase with A Biphasic Oxygen Dissociation To Be Published.