Iron in PDB 8tls: Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y108A Variant

The structure of Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y108A Variant, PDB code: 8tls 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)	21.90 / 1.70
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.718, 66.718, 125.018, 90, 90, 90
R / Rfree (%)	18.9 / 21.4

The binding sites of Iron atom in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y108A Variant (pdb code 8tls). 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 Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y108A Variant, PDB code: 8tls:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y108A 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 Y108A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:3.1 occ:1.00 FE A:HEM201 0.0 3.1 1.0 ND A:HEM201 1.9 5.2 1.0 NA A:HEM201 2.0 3.4 1.0 NB A:HEM201 2.1 2.9 1.0 NC A:HEM201 2.1 2.2 1.0 NE2 A:HIS69 2.1 3.8 1.0 C A:CYN202 2.2 2.2 1.0 C1D A:HEM201 2.9 5.3 1.0 C4D A:HEM201 2.9 6.6 1.0 C1A A:HEM201 3.0 3.6 1.0 C4C A:HEM201 3.0 3.7 1.0 C4A A:HEM201 3.0 2.7 1.0 C4B A:HEM201 3.0 2.7 1.0 C1B A:HEM201 3.0 4.2 1.0 CE1 A:HIS69 3.1 3.2 1.0 C1C A:HEM201 3.1 3.3 1.0 CD2 A:HIS69 3.1 2.8 1.0 CHA A:HEM201 3.3 6.1 1.0 N A:CYN202 3.3 7.6 1.0 CHD A:HEM201 3.4 5.4 1.0 CHB A:HEM201 3.4 2.9 1.0 CHC A:HEM201 3.4 3.0 1.0 C2D A:HEM201 4.2 6.5 1.0 C3D A:HEM201 4.2 7.2 1.0 ND1 A:HIS69 4.2 3.2 1.0 C2A A:HEM201 4.2 4.3 1.0 C3A A:HEM201 4.2 2.5 1.0 CG A:HIS69 4.2 2.4 1.0 C3C A:HEM201 4.2 3.2 1.0 C2B A:HEM201 4.3 3.7 1.0 C3B A:HEM201 4.3 2.7 1.0 C2C A:HEM201 4.3 1.6 1.0 OH A:TYR34 4.5 5.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y108A 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 Y108A Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:5.7 occ:1.00 FE B:HEM201 0.0 5.7 1.0 ND B:HEM201 2.0 4.7 1.0 NA B:HEM201 2.0 4.5 1.0 NB B:HEM201 2.0 6.8 1.0 NC B:HEM201 2.0 2.3 1.0 NE2 B:HIS69 2.1 4.4 1.0 C B:CYN202 2.2 4.4 1.0 C1D B:HEM201 3.0 7.6 1.0 C4D B:HEM201 3.0 7.4 1.0 C4C B:HEM201 3.0 4.1 1.0 C1A B:HEM201 3.0 7.1 1.0 C4A B:HEM201 3.0 6.4 1.0 C1B B:HEM201 3.0 5.1 1.0 CD2 B:HIS69 3.0 4.6 1.0 CE1 B:HIS69 3.0 4.7 1.0 C4B B:HEM201 3.1 4.3 1.0 C1C B:HEM201 3.1 4.4 1.0 N B:CYN202 3.3 7.4 1.0 CHD B:HEM201 3.3 5.7 1.0 CHA B:HEM201 3.4 6.9 1.0 CHB B:HEM201 3.4 5.0 1.0 CHC B:HEM201 3.5 4.3 1.0 ND1 B:HIS69 4.2 3.4 1.0 CG B:HIS69 4.2 4.0 1.0 C2D B:HEM201 4.2 6.2 1.0 C3D B:HEM201 4.2 10.2 1.0 C3C B:HEM201 4.2 2.6 1.0 C3A B:HEM201 4.2 8.1 1.0 C2A B:HEM201 4.2 7.8 1.0 C2B B:HEM201 4.2 5.4 1.0 C3B B:HEM201 4.3 5.0 1.0 C2C B:HEM201 4.3 2.3 1.0 OH B:TYR34 4.5 7.2 1.0 O B:HOH373 4.9 9.7 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 Y108A Variant To Be Published.