Iron in PDB 7tt9: Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y34F Variant

The structure of Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y34F Variant, PDB code: 7tt9 was solved by J.E.Martinez, K.Liu, 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)	23.45 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	27.38, 105.05, 151.08, 90, 90, 90
R / Rfree (%)	17.5 / 20.3

The binding sites of Iron atom in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y34F Variant (pdb code 7tt9). 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 Y34F Variant, PDB code: 7tt9:
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 Y34F 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 Y34F Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:7.2 occ:1.00 FE A:HEM201 0.0 7.2 1.0 ND A:HEM201 2.0 8.9 1.0 NA A:HEM201 2.0 7.5 1.0 NC A:HEM201 2.1 7.0 1.0 NB A:HEM201 2.1 5.8 1.0 NE2 A:HIS69 2.1 11.0 1.0 O A:HOH406 2.6 11.7 1.0 C1D A:HEM201 3.0 8.5 1.0 C4D A:HEM201 3.0 9.8 1.0 C1A A:HEM201 3.0 9.5 1.0 C4C A:HEM201 3.1 9.3 1.0 C4A A:HEM201 3.1 9.1 1.0 C1B A:HEM201 3.1 8.3 1.0 CD2 A:HIS69 3.1 6.9 1.0 C1C A:HEM201 3.1 8.2 1.0 C4B A:HEM201 3.1 9.2 1.0 CE1 A:HIS69 3.1 8.4 1.0 CHD A:HEM201 3.4 8.4 1.0 CHA A:HEM201 3.4 6.4 1.0 CHB A:HEM201 3.4 6.7 1.0 CHC A:HEM201 3.5 6.2 1.0 ND1 A:HIS69 4.2 6.2 1.0 CG A:HIS69 4.2 8.4 1.0 C2D A:HEM201 4.2 10.1 1.0 C3D A:HEM201 4.2 11.1 1.0 C2A A:HEM201 4.3 8.3 1.0 C3A A:HEM201 4.3 9.0 1.0 C3C A:HEM201 4.3 6.4 1.0 C2C A:HEM201 4.3 6.5 1.0 C2B A:HEM201 4.3 6.9 1.0 C3B A:HEM201 4.3 9.2 1.0 O A:HOH359 4.5 18.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y34F 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 Y34F 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 NA B:HEM201 2.0 6.7 1.0 NE2 B:HIS69 2.0 8.4 1.0 NB B:HEM201 2.0 8.1 1.0 ND B:HEM201 2.1 8.1 1.0 NC B:HEM201 2.1 8.3 1.0 O B:HOH410 2.7 8.6 1.0 CE1 B:HIS69 3.0 8.1 1.0 CD2 B:HIS69 3.0 7.0 1.0 C4A B:HEM201 3.0 8.0 1.0 C1A B:HEM201 3.0 8.8 1.0 C1B B:HEM201 3.0 11.4 1.0 C4B B:HEM201 3.1 8.3 1.0 C4D B:HEM201 3.1 7.7 1.0 C1C B:HEM201 3.1 7.7 1.0 C1D B:HEM201 3.1 9.2 1.0 C4C B:HEM201 3.1 8.0 1.0 CHB B:HEM201 3.4 8.7 1.0 CHA B:HEM201 3.4 7.8 1.0 CHC B:HEM201 3.4 7.9 1.0 CHD B:HEM201 3.4 10.4 1.0 ND1 B:HIS69 4.1 6.9 1.0 CG B:HIS69 4.1 5.7 1.0 C3A B:HEM201 4.2 10.7 1.0 C2A B:HEM201 4.2 7.8 1.0 C2B B:HEM201 4.3 9.2 1.0 C3B B:HEM201 4.3 7.8 1.0 C3D B:HEM201 4.3 11.8 1.0 C2D B:HEM201 4.3 9.8 1.0 C2C B:HEM201 4.3 7.7 1.0 C3C B:HEM201 4.3 9.2 1.0 O B:HOH360 4.4 17.4 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y34F 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 Y34F Variant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:7.5 occ:1.00 FE C:HEM201 0.0 7.5 1.0 NA C:HEM201 2.0 7.6 1.0 NB C:HEM201 2.0 8.1 1.0 ND C:HEM201 2.0 8.4 1.0 NC C:HEM201 2.1 7.6 1.0 NE2 C:HIS69 2.1 8.8 1.0 O C:HOH403 2.7 12.5 1.0 C4A C:HEM201 3.0 9.9 1.0 C1A C:HEM201 3.0 11.8 1.0 C1B C:HEM201 3.1 10.4 1.0 CD2 C:HIS69 3.1 7.3 1.0 C4D C:HEM201 3.1 10.7 1.0 C1D C:HEM201 3.1 11.7 1.0 C4B C:HEM201 3.1 11.7 1.0 C1C C:HEM201 3.1 10.7 1.0 C4C C:HEM201 3.1 8.9 1.0 CE1 C:HIS69 3.1 6.5 1.0 CHB C:HEM201 3.4 9.7 1.0 CHA C:HEM201 3.4 13.1 1.0 CHC C:HEM201 3.4 11.3 1.0 CHD C:HEM201 3.4 9.9 1.0 ND1 C:HIS69 4.2 7.0 1.0 CG C:HIS69 4.2 7.0 1.0 C3A C:HEM201 4.2 9.3 1.0 C2A C:HEM201 4.2 11.8 1.0 C3D C:HEM201 4.3 10.6 1.0 C2B C:HEM201 4.3 10.7 1.0 C2D C:HEM201 4.3 12.4 1.0 C2C C:HEM201 4.3 9.4 1.0 C3B C:HEM201 4.3 8.6 1.0 C3C C:HEM201 4.3 9.7 1.0 O C:HOH347 4.6 16.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y34F 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 Y34F Variant within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:7.2 occ:1.00 FE D:HEM201 0.0 7.2 1.0 NB D:HEM201 2.0 4.8 1.0 ND D:HEM201 2.0 6.9 1.0 NC D:HEM201 2.0 7.0 1.0 NA D:HEM201 2.1 5.7 1.0 NE2 D:HIS69 2.1 8.8 1.0 O D:HOH401 2.6 7.5 1.0 C1D D:HEM201 3.0 7.5 1.0 CD2 D:HIS69 3.0 5.4 1.0 C4C D:HEM201 3.0 7.6 1.0 C4B D:HEM201 3.0 8.7 1.0 C1B D:HEM201 3.1 7.7 1.0 C1C D:HEM201 3.1 5.7 1.0 C4D D:HEM201 3.1 9.6 1.0 C4A D:HEM201 3.1 8.2 1.0 C1A D:HEM201 3.1 9.1 1.0 CE1 D:HIS69 3.1 8.6 1.0 CHD D:HEM201 3.4 8.0 1.0 CHC D:HEM201 3.4 7.6 1.0 CHB D:HEM201 3.4 5.6 1.0 CHA D:HEM201 3.4 7.2 1.0 ND1 D:HIS69 4.2 6.3 1.0 CG D:HIS69 4.2 8.0 1.0 C2D D:HEM201 4.3 8.9 1.0 C3C D:HEM201 4.3 6.8 1.0 C2C D:HEM201 4.3 8.7 1.0 C2B D:HEM201 4.3 10.1 1.0 C3B D:HEM201 4.3 4.6 1.0 C3D D:HEM201 4.3 9.9 1.0 C3A D:HEM201 4.3 7.7 1.0 C2A D:HEM201 4.3 9.5 1.0 O D:HOH342 4.4 14.3 1.0

J.E.Martinez, K.Liu, M.A.Siegler, J.L.Schlessman, J.T.J.Lecomte. Crystal Structure of Shewanella Benthica Group 1 Truncated Hemoglobin C51S C71S Y34F Variant To Be Published.