Iron in PDB 1s69: The X-Ray Structure of the Cyanobacteria Synechocystis Hemoglobin "Cyanoglobin" with Cyanide Ligand

The structure of The X-Ray Structure of the Cyanobacteria Synechocystis Hemoglobin "Cyanoglobin" with Cyanide Ligand, PDB code: 1s69 was solved by J.T.Trent Iii, S.Kundu, J.A.Hoy, M.S.Hargrove, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.50 / 1.68
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	84.060, 84.060, 64.620, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 19.9

The binding sites of Iron atom in the The X-Ray Structure of the Cyanobacteria Synechocystis Hemoglobin "Cyanoglobin" with Cyanide Ligand (pdb code 1s69). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the The X-Ray Structure of the Cyanobacteria Synechocystis Hemoglobin "Cyanoglobin" with Cyanide Ligand, PDB code: 1s69:

Iron binding site 1 out of 1 in the The X-Ray Structure of the Cyanobacteria Synechocystis Hemoglobin "Cyanoglobin" with Cyanide Ligand


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The X-Ray Structure of the Cyanobacteria Synechocystis Hemoglobin "Cyanoglobin" with Cyanide Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe125 b:21.4 occ:1.00 FE A:HEM125 0.0 21.4 1.0 ND A:HEM125 2.0 21.1 1.0 NC A:HEM125 2.0 17.6 1.0 NA A:HEM125 2.0 19.7 1.0 NB A:HEM125 2.0 21.2 1.0 C A:CYN126 2.1 17.6 1.0 NE2 A:HIS70 2.1 20.0 1.0 C4C A:HEM125 3.0 20.2 1.0 C1A A:HEM125 3.0 22.9 1.0 C1D A:HEM125 3.0 22.2 1.0 C4D A:HEM125 3.0 21.1 1.0 C1B A:HEM125 3.0 20.8 1.0 C4A A:HEM125 3.0 20.0 1.0 C1C A:HEM125 3.1 19.7 1.0 CE1 A:HIS70 3.1 18.8 1.0 C4B A:HEM125 3.1 17.6 1.0 CD2 A:HIS70 3.1 19.4 1.0 N A:CYN126 3.2 21.3 1.0 CHD A:HEM125 3.4 21.2 1.0 CHA A:HEM125 3.4 21.4 1.0 CHB A:HEM125 3.4 20.5 1.0 CHC A:HEM125 3.5 21.0 1.0 ND1 A:HIS70 4.2 20.8 1.0 C3C A:HEM125 4.2 20.3 1.0 C3D A:HEM125 4.2 24.1 1.0 CG A:HIS70 4.2 18.9 1.0 C2A A:HEM125 4.2 19.1 1.0 C3A A:HEM125 4.2 18.8 1.0 C2D A:HEM125 4.2 22.3 1.0 C2B A:HEM125 4.3 18.7 1.0 C2C A:HEM125 4.3 17.6 1.0 C3B A:HEM125 4.3 20.6 1.0 NE2 A:GLN43 4.6 29.2 1.0 OE1 A:GLN47 5.0 25.1 1.0

J.T.Trent Iii, S.Kundu, J.A.Hoy, M.S.Hargrove. Crystallographic Analysis of Synechocystis Cyanoglobin Reveals the Structural Changes Accompanying Ligand Binding in A Hexacoordinate Hemoglobin. J.Mol.Biol. V. 341 1097 2004.
ISSN: ISSN 0022-2836
PubMed: 15289104
DOI: 10.1016/J.JMB.2004.05.070