Iron in PDB 1vme: Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution

The structure of Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution, PDB code: 1vme was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.92 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.242, 95.831, 90.130, 90.00, 95.43, 90.00
R / Rfree (%)	14.7 / 18.1

The structure of Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Iron atom in the Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution (pdb code 1vme). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution, PDB code: 1vme:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution


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 Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:31.1 occ:1.00 FE1 A:FEO401 0.0 31.1 1.0 O A:FEO401 1.9 14.4 1.0 OD2 A:ASP168 2.2 31.4 1.0 OE1 A:GLU87 2.2 31.3 1.0 NE2 A:HIS151 2.3 33.6 1.0 NE2 A:HIS85 2.3 26.6 1.0 CD2 A:HIS85 3.0 26.8 1.0 CD2 A:HIS151 3.1 36.6 1.0 CG A:ASP168 3.2 31.5 1.0 CD A:GLU87 3.2 36.2 1.0 O A:HOH451 3.2 31.5 1.0 O A:HOH408 3.2 20.7 1.0 FE2 A:FEO401 3.4 15.1 1.0 CE1 A:HIS151 3.4 32.2 1.0 CE1 A:HIS85 3.5 29.6 1.0 OD1 A:ASP168 3.6 25.5 1.0 CB A:GLU87 3.9 28.7 1.0 OE2 A:GLU87 3.9 40.9 1.0 CG A:GLU87 4.1 27.4 1.0 OD1 A:ASP89 4.1 28.4 1.0 CG A:HIS85 4.2 27.3 1.0 CG A:HIS151 4.3 30.6 1.0 CB A:ASP168 4.4 30.7 1.0 ND1 A:HIS151 4.4 36.2 1.0 ND1 A:HIS85 4.4 27.5 1.0 OD2 A:ASP89 4.5 26.9 1.0 NE2 A:HIS90 4.6 23.6 1.0 CD2 A:HIS90 4.6 26.6 1.0 CG A:ASP89 4.8 32.9 1.0 CG1 A:VAL201 5.0 28.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution


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 Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:15.1 occ:1.00 FE2 A:FEO401 0.0 15.1 1.0 O A:FEO401 1.9 14.4 1.0 OD1 A:ASP168 2.1 25.5 1.0 NE2 A:HIS90 2.1 23.6 1.0 OD2 A:ASP89 2.1 26.9 1.0 NE2 A:HIS228 2.1 22.6 1.0 O A:HOH408 2.1 20.7 1.0 CG A:ASP168 3.0 31.5 1.0 CD2 A:HIS90 3.0 26.6 1.0 CE1 A:HIS228 3.1 23.8 1.0 CG A:ASP89 3.1 32.9 1.0 CE1 A:HIS90 3.1 25.1 1.0 CD2 A:HIS228 3.2 22.9 1.0 OD2 A:ASP168 3.2 31.4 1.0 FE1 A:FEO401 3.4 31.1 1.0 OD1 A:ASP89 3.4 28.4 1.0 CG A:HIS90 4.2 25.4 1.0 ND1 A:HIS90 4.2 26.3 1.0 ND1 A:HIS228 4.2 20.7 1.0 OH A:TYR197 4.3 36.4 1.0 CG A:HIS228 4.3 21.2 1.0 O A:HOH451 4.3 31.5 1.0 CB A:ASP168 4.4 30.7 1.0 CB A:ASP89 4.4 26.9 1.0 CZ A:PHE28 4.5 25.8 1.0 CD2 A:HIS85 4.5 26.8 1.0 OE1 A:GLU87 4.8 31.3 1.0 CA A:ASP168 4.8 28.2 1.0 NE2 A:HIS85 4.9 26.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:36.8 occ:1.00 FE1 B:FEO400 0.0 36.8 1.0 O B:FEO400 1.9 21.6 1.0 OE1 B:GLU87 2.0 30.0 1.0 OD2 B:ASP168 2.3 33.2 1.0 NE2 B:HIS85 2.3 26.2 1.0 NE2 B:HIS151 2.4 33.8 1.0 CD2 B:HIS85 3.0 28.4 1.0 CD2 B:HIS151 3.0 38.8 1.0 CD B:GLU87 3.1 35.2 1.0 O B:HOH470 3.2 36.5 1.0 CG B:ASP168 3.3 31.8 1.0 O B:HOH407 3.3 22.4 1.0 CE1 B:HIS85 3.4 26.2 1.0 CE1 B:HIS151 3.5 40.6 1.0 FE2 B:FEO400 3.5 17.8 1.0 OD1 B:ASP168 3.7 23.4 1.0 CB B:GLU87 3.7 24.5 1.0 OE2 B:GLU87 3.9 42.3 1.0 CG B:GLU87 4.0 24.5 1.0 OD1 B:ASP89 4.2 27.2 1.0 CG B:HIS85 4.3 25.6 1.0 CG B:HIS151 4.3 30.7 1.0 ND1 B:HIS85 4.4 25.9 1.0 ND1 B:HIS151 4.5 34.7 1.0 CB B:ASP168 4.5 27.9 1.0 OD2 B:ASP89 4.6 26.2 1.0 NE2 B:HIS90 4.7 26.2 1.0 CD2 B:HIS90 4.8 24.6 1.0 CG B:ASP89 4.8 28.9 1.0 CG1 B:VAL201 4.9 30.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Flavoprotein (TM0755) From Thermotoga Maritima at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:17.8 occ:1.00 FE2 B:FEO400 0.0 17.8 1.0 O B:FEO400 1.9 21.6 1.0 OD1 B:ASP168 2.1 23.4 1.0 NE2 B:HIS228 2.1 20.2 1.0 OD2 B:ASP89 2.1 26.2 1.0 NE2 B:HIS90 2.1 26.2 1.0 O B:HOH407 2.2 22.4 1.0 CG B:ASP168 3.0 31.8 1.0 CE1 B:HIS228 3.0 22.2 1.0 CD2 B:HIS90 3.1 24.6 1.0 CE1 B:HIS90 3.1 27.0 1.0 CD2 B:HIS228 3.1 22.0 1.0 CG B:ASP89 3.1 28.9 1.0 OD2 B:ASP168 3.3 33.2 1.0 OD1 B:ASP89 3.5 27.2 1.0 FE1 B:FEO400 3.5 36.8 1.0 ND1 B:HIS228 4.2 20.5 1.0 ND1 B:HIS90 4.2 25.8 1.0 OH B:TYR197 4.2 36.4 1.0 CG B:HIS90 4.2 25.2 1.0 CG B:HIS228 4.2 18.9 1.0 O B:HOH470 4.3 36.5 1.0 CB B:ASP168 4.4 27.9 1.0 CZ B:PHE28 4.4 29.0 1.0 CB B:ASP89 4.4 26.0 1.0 CD2 B:HIS85 4.6 28.4 1.0 OE1 B:GLU87 4.8 30.0 1.0 CA B:ASP168 4.8 27.0 1.0 NE2 B:HIS85 5.0 26.2 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.