Iron in PDB 2r4y: Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Unliganded

The structure of Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Unliganded, PDB code: 2r4y 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)	39.91 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	92.070, 44.290, 143.670, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21

The binding sites of Iron atom in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Unliganded (pdb code 2r4y). 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: H69V/I114M Unliganded, PDB code: 2r4y:
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: H69V/I114M Unliganded


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: H69V/I114M Unliganded within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:17.8 occ:1.00 FE A:HEM147 0.0 17.8 1.0 NA A:HEM147 2.0 19.9 1.0 ND A:HEM147 2.0 14.9 1.0 NB A:HEM147 2.0 20.4 1.0 NC A:HEM147 2.0 18.4 1.0 NE2 A:HIS101 2.1 17.3 1.0 O A:HOH210 2.8 40.9 1.0 CE1 A:HIS101 3.0 16.7 1.0 C4A A:HEM147 3.0 18.5 1.0 C1B A:HEM147 3.0 21.6 1.0 C1D A:HEM147 3.0 16.8 1.0 C4D A:HEM147 3.1 17.0 1.0 C1C A:HEM147 3.1 18.8 1.0 C4B A:HEM147 3.1 20.5 1.0 C1A A:HEM147 3.1 19.4 1.0 C4C A:HEM147 3.1 18.0 1.0 CD2 A:HIS101 3.2 15.8 1.0 CHB A:HEM147 3.4 15.4 1.0 CHD A:HEM147 3.4 16.2 1.0 CHC A:HEM147 3.4 15.9 1.0 CHA A:HEM147 3.4 15.6 1.0 ND1 A:HIS101 4.2 17.4 1.0 C3A A:HEM147 4.3 16.8 1.0 CG A:HIS101 4.3 15.4 1.0 C2D A:HEM147 4.3 19.1 1.0 C2C A:HEM147 4.3 18.8 1.0 C2A A:HEM147 4.3 20.7 1.0 C2B A:HEM147 4.3 22.2 1.0 C3D A:HEM147 4.3 16.3 1.0 C3C A:HEM147 4.3 18.4 1.0 C3B A:HEM147 4.3 18.4 1.0 CZ A:PHE97 4.9 28.8 1.0

Iron binding site 2 out of 2 in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M Unliganded


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: H69V/I114M Unliganded within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:17.0 occ:1.00 FE B:HEM147 0.0 17.0 1.0 NB B:HEM147 2.0 16.5 1.0 ND B:HEM147 2.0 15.3 1.0 NA B:HEM147 2.0 14.2 1.0 NC B:HEM147 2.0 14.4 1.0 NE2 B:HIS101 2.1 17.7 1.0 C1B B:HEM147 3.0 15.2 1.0 C4A B:HEM147 3.0 17.5 1.0 CE1 B:HIS101 3.0 17.8 1.0 C1D B:HEM147 3.0 18.9 1.0 C4B B:HEM147 3.0 13.2 1.0 C4D B:HEM147 3.1 18.4 1.0 C1A B:HEM147 3.1 16.6 1.0 C4C B:HEM147 3.1 16.8 1.0 C1C B:HEM147 3.1 18.2 1.0 CD2 B:HIS101 3.1 14.8 1.0 CHB B:HEM147 3.4 15.1 1.0 CHD B:HEM147 3.4 13.0 1.0 CHA B:HEM147 3.4 14.3 1.0 CHC B:HEM147 3.4 14.4 1.0 ND1 B:HIS101 4.2 16.1 1.0 CG B:HIS101 4.3 16.8 1.0 C3A B:HEM147 4.3 15.0 1.0 C2B B:HEM147 4.3 16.2 1.0 C3D B:HEM147 4.3 19.9 1.0 C3B B:HEM147 4.3 14.9 1.0 C2A B:HEM147 4.3 14.2 1.0 C2D B:HEM147 4.3 17.0 1.0 C2C B:HEM147 4.3 17.8 1.0 C3C B:HEM147 4.3 14.9 1.0 CZ B:PHE97 4.8 23.0 1.0 CE1 B:PHE111 4.9 22.8 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