Iron in PDB 5v8s: Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima

The structure of Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima, PDB code: 5v8s was solved by A.B.Taylor, A.Becker, N.Giri, P.J.Hart, D.M.Kurtz Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.98 / 1.41
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.616, 91.857, 85.479, 90.00, 96.20, 90.00
R / Rfree (%)	15.1 / 17.8

The structure of Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Iron atom in the Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima (pdb code 5v8s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima, PDB code: 5v8s:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:19.8 occ:1.00 FE1 A:FEO401 0.0 19.8 1.0 O A:FEO401 1.9 21.8 1.0 OD2 A:ASP168 2.1 21.6 1.0 OE1 A:GLU87 2.1 21.6 1.0 NE2 A:HIS151 2.2 18.1 1.0 O A:HOH538 2.2 54.2 1.0 NE2 A:HIS85 2.2 17.1 1.0 CD2 A:HIS85 3.0 17.8 1.0 CE1 A:HIS151 3.1 18.1 1.0 CD A:GLU87 3.2 20.7 1.0 CG A:ASP168 3.2 18.6 1.0 CD2 A:HIS151 3.2 17.9 1.0 CE1 A:HIS85 3.3 18.9 1.0 FE2 A:FEO401 3.4 21.3 1.0 O A:HOH637 3.4 26.5 1.0 O A:HOH527 3.6 39.9 1.0 OD1 A:ASP168 3.6 19.2 1.0 CB A:GLU87 3.8 18.3 1.0 OE2 A:GLU87 3.9 23.6 1.0 CG A:GLU87 4.0 19.4 1.0 OD1 A:ASP89 4.1 21.4 1.0 ND1 A:HIS151 4.3 19.2 1.0 O A:HOH511 4.3 26.9 1.0 CG A:HIS85 4.3 18.6 1.0 CG A:HIS151 4.3 17.8 1.0 ND1 A:HIS85 4.4 18.8 1.0 CB A:ASP168 4.5 17.7 1.0 OD2 A:ASP89 4.6 20.6 1.0 OD2 A:ASP90 4.7 30.9 1.0 CG A:ASP89 4.8 19.7 1.0 CG1 A:VAL201 4.8 20.5 1.0

Iron binding site 2 out of 4 in the Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:21.3 occ:1.00 FE2 A:FEO401 0.0 21.3 1.0 O A:FEO401 1.9 21.8 1.0 OD1 A:ASP168 2.2 19.2 1.0 OD2 A:ASP89 2.2 20.6 1.0 NE2 A:HIS228 2.2 19.5 1.0 O A:HOH637 2.3 26.5 1.0 OD2 A:ASP90 2.3 30.9 1.0 CG A:ASP168 3.1 18.6 1.0 CE1 A:HIS228 3.1 19.3 1.0 CG A:ASP89 3.1 19.7 1.0 CD2 A:HIS228 3.3 17.2 1.0 OD2 A:ASP168 3.3 21.6 1.0 O A:HOH538 3.3 54.2 1.0 OD1 A:ASP89 3.4 21.4 1.0 FE1 A:FEO401 3.4 19.8 1.0 CG A:ASP90 3.5 33.0 1.0 OD1 A:ASP90 3.9 38.2 1.0 OH A:TYR197 4.1 26.8 1.0 ND1 A:HIS228 4.2 17.3 1.0 CG A:HIS228 4.3 17.3 1.0 CD2 A:HIS85 4.4 17.8 1.0 CB A:ASP168 4.5 17.7 1.0 CB A:ASP89 4.5 20.5 1.0 CZ A:PHE28 4.7 21.4 1.0 NE2 A:HIS85 4.7 17.1 1.0 OE1 A:GLU87 4.7 21.6 1.0 CB A:ASP90 4.7 26.5 1.0 CA A:ASP168 4.9 18.1 1.0 O A:HOH527 5.0 39.9 1.0

Iron binding site 3 out of 4 in the Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:16.6 occ:1.00 FE1 B:FEO401 0.0 16.6 1.0 O B:FEO401 1.9 19.6 1.0 OD2 B:ASP168 2.1 17.5 1.0 OE1 B:GLU87 2.1 19.9 1.0 NE2 B:HIS151 2.2 15.7 1.0 NE2 B:HIS85 2.3 16.4 1.0 O B:HOH583 2.3 37.3 1.0 CD2 B:HIS85 3.1 15.5 1.0 CD2 B:HIS151 3.1 15.2 1.0 CG B:ASP168 3.1 15.1 1.0 CD B:GLU87 3.1 19.5 1.0 CE1 B:HIS151 3.2 16.7 1.0 CE1 B:HIS85 3.3 17.2 1.0 O B:HOH685 3.4 25.7 1.0 FE2 B:FEO401 3.5 17.3 1.0 OD1 B:ASP168 3.6 15.3 1.0 CB B:GLU87 3.8 15.8 1.0 OE2 B:GLU87 3.9 24.5 1.0 CG B:GLU87 4.0 16.9 1.0 OD1 B:ASP89 4.2 20.8 1.0 ND1 B:HIS151 4.3 17.6 1.0 CG B:HIS151 4.3 15.8 1.0 CG B:HIS85 4.3 15.9 1.0 ND1 B:HIS85 4.4 17.3 1.0 CB B:ASP168 4.4 15.1 1.0 OD2 B:ASP89 4.6 18.8 1.0 OD2 B:ASP90 4.6 22.4 0.8 OD2 B:ASP90 4.8 21.1 0.2 CG1 B:VAL201 4.8 18.2 1.0 CG B:ASP89 4.8 16.4 1.0

Iron binding site 4 out of 4 in the Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Flavo Di-Iron Protein H90D Mutant From Thermotoga Maritima within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:17.3 occ:1.00 FE2 B:FEO401 0.0 17.3 1.0 O B:FEO401 1.9 19.6 1.0 OD1 B:ASP168 2.1 15.3 1.0 OD2 B:ASP89 2.2 18.8 1.0 NE2 B:HIS228 2.2 15.0 1.0 O B:HOH685 2.3 25.7 1.0 OD2 B:ASP90 2.3 22.4 0.8 CG B:ASP168 3.0 15.1 1.0 CE1 B:HIS228 3.1 16.7 1.0 CG B:ASP89 3.1 16.4 1.0 CD2 B:HIS228 3.2 14.6 1.0 OD2 B:ASP168 3.3 17.5 1.0 CG B:ASP90 3.4 22.2 0.8 OD1 B:ASP89 3.4 20.8 1.0 FE1 B:FEO401 3.5 16.6 1.0 O B:HOH583 3.7 37.3 1.0 OD1 B:ASP90 3.7 24.7 0.8 OD2 B:ASP90 4.0 21.1 0.2 OH B:TYR197 4.2 26.3 1.0 ND1 B:HIS228 4.2 14.4 1.0 CG B:HIS228 4.3 13.7 1.0 CD2 B:HIS85 4.4 15.5 1.0 CB B:ASP168 4.4 15.1 1.0 CB B:ASP89 4.5 16.2 1.0 CZ B:PHE28 4.6 18.6 1.0 NE2 B:HIS85 4.7 16.4 1.0 CB B:ASP90 4.7 19.6 0.8 OE1 B:GLU87 4.8 19.9 1.0 CB B:ASP90 4.8 18.6 0.2 CG B:ASP90 4.8 19.6 0.2 CA B:ASP168 4.9 14.6 1.0 SG B:CYS167 4.9 23.7 1.0

D.M.Kurtz Jr., A.B.Taylor, A.Becker, N.Giri, P.J.Hart, D.M.Kurtz Jr.. N/A N/A.