Iron in PDB 2r4w: Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F with Co Bound

The structure of Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F with Co Bound, PDB code: 2r4w was solved by J.E.Knapp, W.E.Royer Jr., K.Nienhaus, P.Palladino, G.U.Nienhaus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.58 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.190, 43.980, 83.510, 90.00, 121.86, 90.00
R / Rfree (%)	20.1 / 22.9

The binding sites of Iron atom in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F with Co Bound (pdb code 2r4w). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F with Co Bound, PDB code: 2r4w:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F with Co Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F with Co Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:16.3 occ:1.00 FE A:HEM147 0.0 16.3 1.0 C A:CMO148 1.8 12.7 1.0 NB A:HEM147 2.0 15.9 1.0 ND A:HEM147 2.0 16.7 1.0 NC A:HEM147 2.0 12.1 1.0 NA A:HEM147 2.0 14.2 1.0 NE2 A:HIS101 2.0 14.4 1.0 CD2 A:HIS101 3.0 13.8 1.0 C1B A:HEM147 3.0 17.6 1.0 O A:CMO148 3.0 20.0 1.0 C4B A:HEM147 3.0 11.6 1.0 C1D A:HEM147 3.0 16.0 1.0 C1C A:HEM147 3.1 10.5 1.0 CE1 A:HIS101 3.1 14.6 1.0 C4D A:HEM147 3.1 13.8 1.0 C4C A:HEM147 3.1 16.6 1.0 C4A A:HEM147 3.1 20.4 1.0 C1A A:HEM147 3.1 14.3 1.0 CHD A:HEM147 3.4 17.7 1.0 CHB A:HEM147 3.4 19.0 1.0 CHC A:HEM147 3.4 13.1 1.0 CHA A:HEM147 3.5 15.8 1.0 CG A:HIS101 4.2 16.6 1.0 ND1 A:HIS101 4.2 14.5 1.0 C2B A:HEM147 4.2 16.4 1.0 C3B A:HEM147 4.3 16.4 1.0 C2D A:HEM147 4.3 16.4 1.0 C3D A:HEM147 4.3 17.5 1.0 C2C A:HEM147 4.3 11.7 1.0 C3C A:HEM147 4.3 10.6 1.0 C2A A:HEM147 4.3 14.5 1.0 C3A A:HEM147 4.3 15.3 1.0 CD1 A:LEU73 4.8 26.1 1.0 CE1 A:PHE111 4.9 17.5 1.0 CE1 A:HIS69 4.9 20.1 1.0

Iron binding site 2 out of 2 in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F with Co Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F with Co Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:15.3 occ:1.00 FE B:HEM147 0.0 15.3 1.0 C B:CMO148 1.8 13.8 1.0 NB B:HEM147 2.0 14.1 1.0 ND B:HEM147 2.0 15.1 1.0 NA B:HEM147 2.0 17.1 1.0 NC B:HEM147 2.0 15.6 1.0 NE2 B:HIS101 2.1 13.8 1.0 O B:CMO148 3.0 18.6 1.0 C1B B:HEM147 3.0 15.2 1.0 C4B B:HEM147 3.1 14.7 1.0 CD2 B:HIS101 3.1 14.0 1.0 CE1 B:HIS101 3.1 14.9 1.0 C4D B:HEM147 3.1 14.2 1.0 C1C B:HEM147 3.1 13.6 1.0 C1A B:HEM147 3.1 16.2 1.0 C1D B:HEM147 3.1 15.1 1.0 C4A B:HEM147 3.1 17.6 1.0 C4C B:HEM147 3.1 13.2 1.0 CHC B:HEM147 3.4 12.8 1.0 CHB B:HEM147 3.4 17.3 1.0 CHA B:HEM147 3.4 12.8 1.0 CHD B:HEM147 3.5 14.7 1.0 ND1 B:HIS101 4.2 15.3 1.0 CG B:HIS101 4.2 15.4 1.0 C2A B:HEM147 4.3 17.4 1.0 C3D B:HEM147 4.3 12.2 1.0 C2B B:HEM147 4.3 15.2 1.0 C3B B:HEM147 4.3 15.8 1.0 C2D B:HEM147 4.3 14.5 1.0 C2C B:HEM147 4.3 12.9 1.0 C3A B:HEM147 4.3 18.5 1.0 C3C B:HEM147 4.3 14.7 1.0 CE2 B:PHE97 4.8 22.9 0.3 CE1 B:HIS69 4.9 19.1 1.0 CD1 B:LEU73 5.0 23.2 1.0

K.Nienhaus, J.E.Knapp, P.Palladino, W.E.Royer Jr., G.U.Nienhaus. Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis Biochemistry V. 46 14018 2007.
ISSN: ISSN 0006-2960
PubMed: 18001141
DOI: 10.1021/BI7016798