Iron in PDB 1rtx: Crystal Structure of Synechocystis Hemoglobin with A Covalent Heme Linkage

The structure of Crystal Structure of Synechocystis Hemoglobin with A Covalent Heme Linkage, PDB code: 1rtx was solved by J.A.Hoy, S.Kundu, J.T.Trent, S.Ramaswamy, M.S.Hargrove, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.76 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.500, 46.000, 61.000, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 22.4

The structure of Crystal Structure of Synechocystis Hemoglobin with A Covalent Heme Linkage also contains other interesting chemical elements:

Cadmium	(Cd)	2 atoms
Potassium	(K)	1 atom

The binding sites of Iron atom in the Crystal Structure of Synechocystis Hemoglobin with A Covalent Heme Linkage (pdb code 1rtx). 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 Crystal Structure of Synechocystis Hemoglobin with A Covalent Heme Linkage, PDB code: 1rtx:

Iron binding site 1 out of 1 in the Crystal Structure of Synechocystis Hemoglobin with A Covalent Heme Linkage


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 Synechocystis Hemoglobin with A Covalent Heme Linkage within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe125 b:24.9 occ:1.00 FE A:HEM125 0.0 24.9 1.0 NC A:HEM125 1.9 23.9 1.0 NB A:HEM125 1.9 25.0 1.0 ND A:HEM125 1.9 25.5 1.0 NA A:HEM125 1.9 26.6 1.0 NE2 A:HIS46 2.0 22.4 1.0 NE2 A:HIS70 2.1 26.5 1.0 CD2 A:HIS46 2.9 21.5 1.0 C1C A:HEM125 3.0 23.9 1.0 C4B A:HEM125 3.0 22.2 1.0 C1D A:HEM125 3.0 25.5 1.0 C4C A:HEM125 3.0 25.8 1.0 C1B A:HEM125 3.0 26.7 1.0 C4A A:HEM125 3.0 28.4 1.0 CD2 A:HIS70 3.0 22.9 1.0 C1A A:HEM125 3.0 26.6 1.0 CE1 A:HIS46 3.0 22.8 1.0 C4D A:HEM125 3.0 26.3 1.0 CE1 A:HIS70 3.1 21.6 1.0 CHD A:HEM125 3.3 26.2 1.0 CHC A:HEM125 3.3 22.3 1.0 CHB A:HEM125 3.3 27.2 1.0 CHA A:HEM125 3.4 27.0 1.0 CG A:HIS46 4.0 22.9 1.0 ND1 A:HIS46 4.1 20.9 1.0 ND1 A:HIS70 4.2 20.4 1.0 CG A:HIS70 4.2 23.1 1.0 C3B A:HEM125 4.3 21.5 1.0 C2C A:HEM125 4.3 23.3 1.0 C3C A:HEM125 4.3 25.0 1.0 C2D A:HEM125 4.3 28.3 1.0 C2B A:HEM125 4.3 22.3 1.0 C3A A:HEM125 4.3 28.2 1.0 C2A A:HEM125 4.3 27.2 1.0 C3D A:HEM125 4.3 28.6 1.0

J.A.Hoy, S.Kundu, J.T.Trent, S.Ramaswamy, M.S.Hargrove. The Crystal Structure of Synechocystis Hemoglobin with A Covalent Heme Linkage. J.Biol.Chem. V. 279 16535 2004.
ISSN: ISSN 0021-9258
PubMed: 14736872
DOI: 10.1074/JBC.M313707200