Iron in PDB 8ugz: Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant

The structure of Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant, PDB code: 8ugz was solved by T.D.Schultz, J.E.Martinez, M.A.Siegler, J.L.Schlessman, J.T.J.Lecomte, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.29 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	27.486, 105.058, 151.118, 90, 90, 90
R / Rfree (%)	17.6 / 21

The binding sites of Iron atom in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant (pdb code 8ugz). 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 Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant, PDB code: 8ugz:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant


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 Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:4.8 occ:1.00 FE A:HEM201 0.0 4.8 1.0 ND A:HEM201 2.0 5.5 1.0 NC A:HEM201 2.0 5.3 1.0 NB A:HEM201 2.0 6.0 1.0 NE2 A:HIS69 2.1 4.8 1.0 C A:CYN202 2.1 7.3 1.0 NA A:HEM201 2.1 8.5 1.0 C1D A:HEM201 3.0 6.5 1.0 C4D A:HEM201 3.0 7.2 1.0 C4C A:HEM201 3.0 5.8 1.0 CE1 A:HIS69 3.0 7.9 1.0 C4B A:HEM201 3.0 7.2 1.0 CD2 A:HIS69 3.1 6.0 1.0 C1C A:HEM201 3.1 6.1 1.0 C1A A:HEM201 3.1 7.0 1.0 C1B A:HEM201 3.1 5.3 1.0 C4A A:HEM201 3.1 7.0 1.0 N A:CYN202 3.1 8.9 1.0 CHD A:HEM201 3.4 4.9 1.0 CHA A:HEM201 3.4 8.7 1.0 CHC A:HEM201 3.4 4.3 1.0 CHB A:HEM201 3.5 5.6 1.0 ND1 A:HIS69 4.2 5.3 1.0 C2D A:HEM201 4.2 8.0 1.0 CG A:HIS69 4.2 5.8 1.0 C3D A:HEM201 4.2 6.0 1.0 C3C A:HEM201 4.2 5.7 1.0 C3B A:HEM201 4.3 6.8 1.0 C2C A:HEM201 4.3 7.0 1.0 C2B A:HEM201 4.3 5.7 1.0 C2A A:HEM201 4.3 7.0 1.0 C3A A:HEM201 4.3 7.4 1.0 OH A:TYR34 4.5 9.2 1.0 O A:HOH355 4.6 12.5 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant


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 Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:4.9 occ:1.00 FE B:HEM201 0.0 4.9 1.0 NA B:HEM201 2.0 6.4 1.0 ND B:HEM201 2.0 5.3 1.0 NC B:HEM201 2.0 5.2 1.0 NE2 B:HIS69 2.0 5.2 1.0 C B:CYN202 2.0 4.3 1.0 NB B:HEM201 2.0 5.5 1.0 CE1 B:HIS69 3.0 7.4 1.0 C1A B:HEM201 3.0 6.3 1.0 C4A B:HEM201 3.0 5.8 1.0 C1D B:HEM201 3.0 7.3 1.0 C4D B:HEM201 3.0 4.7 1.0 C4C B:HEM201 3.0 4.3 1.0 C4B B:HEM201 3.0 6.4 1.0 C1C B:HEM201 3.1 4.6 1.0 C1B B:HEM201 3.1 6.5 1.0 CD2 B:HIS69 3.1 6.1 1.0 N B:CYN202 3.2 8.5 1.0 CHA B:HEM201 3.4 6.6 1.0 CHD B:HEM201 3.4 6.9 1.0 CHC B:HEM201 3.4 4.0 1.0 CHB B:HEM201 3.4 4.7 1.0 ND1 B:HIS69 4.1 5.7 1.0 CG B:HIS69 4.2 4.6 1.0 C2A B:HEM201 4.2 5.7 1.0 C3A B:HEM201 4.2 6.1 1.0 C3D B:HEM201 4.2 7.0 1.0 C2D B:HEM201 4.2 8.2 1.0 C3C B:HEM201 4.3 6.3 1.0 C2C B:HEM201 4.3 5.1 1.0 C3B B:HEM201 4.3 6.3 1.0 C2B B:HEM201 4.3 5.2 1.0 OH B:TYR34 4.6 6.4 1.0 O B:HOH348 4.7 9.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant


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 Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:4.8 occ:1.00 FE C:HEM201 0.0 4.8 1.0 NC C:HEM201 2.0 5.8 1.0 NB C:HEM201 2.0 4.8 1.0 NA C:HEM201 2.0 8.7 1.0 ND C:HEM201 2.0 4.5 1.0 NE2 C:HIS69 2.0 6.6 1.0 C C:CYN202 2.1 8.1 1.0 CD2 C:HIS69 3.0 7.0 1.0 C1C C:HEM201 3.0 6.2 1.0 C4B C:HEM201 3.0 8.1 1.0 CE1 C:HIS69 3.0 7.3 1.0 C1A C:HEM201 3.0 6.7 1.0 C1D C:HEM201 3.0 9.1 1.0 C4C C:HEM201 3.0 6.5 1.0 C1B C:HEM201 3.0 4.7 1.0 C4A C:HEM201 3.1 6.0 1.0 C4D C:HEM201 3.1 8.5 1.0 N C:CYN202 3.2 10.7 1.0 CHC C:HEM201 3.4 5.8 1.0 CHA C:HEM201 3.4 8.8 1.0 CHD C:HEM201 3.4 8.5 1.0 CHB C:HEM201 3.4 5.6 1.0 ND1 C:HIS69 4.1 5.8 1.0 CG C:HIS69 4.1 5.7 1.0 C2C C:HEM201 4.2 5.8 1.0 C3B C:HEM201 4.2 6.0 1.0 C2B C:HEM201 4.3 8.0 1.0 C3C C:HEM201 4.3 7.8 1.0 C2A C:HEM201 4.3 8.1 1.0 C3A C:HEM201 4.3 7.7 1.0 C2D C:HEM201 4.3 8.7 1.0 C3D C:HEM201 4.3 7.3 1.0 OH C:TYR34 4.6 9.0 1.0 O C:HOH358 4.8 11.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant


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 Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:4.4 occ:1.00 FE D:HEM201 0.0 4.4 1.0 ND D:HEM201 2.0 4.6 1.0 NC D:HEM201 2.0 4.9 1.0 NB D:HEM201 2.0 4.4 1.0 C D:CYN202 2.0 5.0 1.0 NA D:HEM201 2.1 6.0 1.0 NE2 D:HIS69 2.1 4.9 1.0 C1D D:HEM201 3.0 7.1 1.0 C4C D:HEM201 3.0 5.1 1.0 C1C D:HEM201 3.0 6.6 1.0 CE1 D:HIS69 3.0 6.8 1.0 C4D D:HEM201 3.0 6.5 1.0 C4B D:HEM201 3.0 5.9 1.0 C1B D:HEM201 3.1 3.7 1.0 CD2 D:HIS69 3.1 3.7 1.0 C1A D:HEM201 3.1 6.2 1.0 C4A D:HEM201 3.1 6.5 1.0 N D:CYN202 3.1 8.9 1.0 CHD D:HEM201 3.4 6.1 1.0 CHC D:HEM201 3.4 6.9 1.0 CHA D:HEM201 3.4 5.0 1.0 CHB D:HEM201 3.5 4.6 1.0 ND1 D:HIS69 4.1 6.0 1.0 CG D:HIS69 4.2 5.7 1.0 C2D D:HEM201 4.2 5.7 1.0 C3D D:HEM201 4.2 6.4 1.0 C2C D:HEM201 4.2 5.5 1.0 C3C D:HEM201 4.2 5.5 1.0 C3B D:HEM201 4.3 4.8 1.0 C2B D:HEM201 4.3 6.1 1.0 C2A D:HEM201 4.3 6.4 1.0 C3A D:HEM201 4.3 5.2 1.0 OH D:TYR34 4.4 7.7 1.0 O D:HOH348 4.7 12.1 1.0

T.D.Schultz, J.E.Martinez, M.A.Siegler, J.L.Schlessman, J.T.J.Lecomte. Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Variant To Be Published.