Iron in PDB 3qob: Mechanical Coupling Controls Cooperative Ligand Binding in A Homodimeric Hemoglobin

The structure of Mechanical Coupling Controls Cooperative Ligand Binding in A Homodimeric Hemoglobin, PDB code: 3qob was solved by Z.Ren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.20 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.250, 43.980, 83.500, 90.00, 122.03, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Mechanical Coupling Controls Cooperative Ligand Binding in A Homodimeric Hemoglobin (pdb code 3qob). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Mechanical Coupling Controls Cooperative Ligand Binding in A Homodimeric Hemoglobin, PDB code: 3qob:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Mechanical Coupling Controls Cooperative Ligand Binding in A Homodimeric Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mechanical Coupling Controls Cooperative Ligand Binding in A Homodimeric Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:20.0 occ:1.00 FE A:HEM147 0.0 20.0 1.0 NC A:HEM147 1.9 20.0 1.0 NB A:HEM147 2.0 20.0 1.0 ND A:HEM147 2.1 20.0 1.0 NA A:HEM147 2.3 20.0 1.0 NE2 A:HIS101 2.6 20.0 1.0 C1C A:HEM147 3.0 20.0 1.0 C4C A:HEM147 3.0 20.0 1.0 C4B A:HEM147 3.0 20.0 1.0 CE1 A:HIS101 3.0 20.0 1.0 C1B A:HEM147 3.1 20.0 1.0 C1D A:HEM147 3.1 20.0 1.0 C4D A:HEM147 3.2 20.0 1.0 C4A A:HEM147 3.2 20.0 1.0 C1A A:HEM147 3.2 20.0 1.0 CHC A:HEM147 3.4 20.0 1.0 CHD A:HEM147 3.4 20.0 1.0 CHB A:HEM147 3.5 20.0 1.0 CHA A:HEM147 3.6 20.0 1.0 CD2 A:HIS101 3.6 20.0 1.0 O A:CMO501 3.8 20.0 1.0 ND1 A:HIS101 4.1 20.0 1.0 C2C A:HEM147 4.2 20.0 1.0 C3C A:HEM147 4.2 20.0 1.0 C3B A:HEM147 4.2 20.0 1.0 C2B A:HEM147 4.3 20.0 1.0 C2D A:HEM147 4.4 20.0 1.0 C3A A:HEM147 4.4 20.0 1.0 C3D A:HEM147 4.4 20.0 1.0 C2A A:HEM147 4.4 20.0 1.0 C A:CMO501 4.4 20.0 1.0 CG A:HIS101 4.5 20.0 1.0 CE1 A:PHE111 4.6 20.0 1.0 CE1 A:HIS69 4.8 20.0 1.0 CD1 A:LEU73 4.9 20.0 1.0

Iron binding site 2 out of 2 in the Mechanical Coupling Controls Cooperative Ligand Binding in A Homodimeric Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mechanical Coupling Controls Cooperative Ligand Binding in A Homodimeric Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:20.0 occ:1.00 FE B:HEM147 0.0 20.0 1.0 NB B:HEM147 2.1 20.0 1.0 NC B:HEM147 2.2 20.0 1.0 NA B:HEM147 2.2 20.0 1.0 ND B:HEM147 2.3 20.0 1.0 NE2 B:HIS101 2.4 20.0 1.0 C1B B:HEM147 3.1 20.0 1.0 C4B B:HEM147 3.1 20.0 1.0 C1C B:HEM147 3.1 20.0 1.0 C4C B:HEM147 3.1 20.0 1.0 CE1 B:HIS101 3.2 20.0 1.0 C4A B:HEM147 3.2 20.0 1.0 C1D B:HEM147 3.2 20.0 1.0 C1A B:HEM147 3.3 20.0 1.0 C4D B:HEM147 3.3 20.0 1.0 CD2 B:HIS101 3.4 20.0 1.0 CHB B:HEM147 3.5 20.0 1.0 CHC B:HEM147 3.5 20.0 1.0 CHD B:HEM147 3.5 20.0 1.0 CHA B:HEM147 3.6 20.0 1.0 O B:CMO501 4.0 20.0 1.0 ND1 B:HIS101 4.3 20.0 1.0 C2B B:HEM147 4.3 20.0 1.0 C3B B:HEM147 4.3 20.0 1.0 C2C B:HEM147 4.3 20.0 1.0 C3C B:HEM147 4.4 20.0 1.0 CG B:HIS101 4.4 20.0 1.0 C3A B:HEM147 4.4 20.0 1.0 C2A B:HEM147 4.5 20.0 1.0 C2D B:HEM147 4.5 20.0 1.0 C3D B:HEM147 4.5 20.0 1.0 C B:CMO501 4.7 20.0 1.0 CE1 B:HIS69 4.8 20.0 1.0 CE2 B:PHE111 4.8 20.0 1.0

Z.Ren, V.Srajer, J.E.Knapp, W.E.Royer Jr.. Cooperative Macromolecular Device Revealed By Meta-Analysis of Static and Time-Resolved Structures. Proc.Natl.Acad.Sci.Usa V. 109 107 2012.
ISSN: ESSN 1091-6490
PubMed: 22171006
DOI: 10.1073/PNAS.1109213108