Iron in PDB 2z85: Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F Unliganded

The structure of Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F Unliganded, PDB code: 2z85 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)	38.69 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	91.760, 44.520, 143.950, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 20.2

The binding sites of Iron atom in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F Unliganded (pdb code 2z85). 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 Unliganded, PDB code: 2z85:
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 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: M37F Unliganded within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:15.2 occ:1.00 FE A:HEM147 0.0 15.2 1.0 ND A:HEM147 2.0 16.8 1.0 NA A:HEM147 2.0 13.6 1.0 NB A:HEM147 2.0 13.2 1.0 NC A:HEM147 2.0 15.8 1.0 NE2 A:HIS101 2.1 14.7 1.0 CE1 A:HIS101 3.1 15.4 1.0 C1A A:HEM147 3.1 12.7 1.0 C1D A:HEM147 3.1 16.2 1.0 C4A A:HEM147 3.1 12.9 1.0 C4C A:HEM147 3.1 17.6 1.0 C4D A:HEM147 3.1 15.6 1.0 C1B A:HEM147 3.1 13.9 1.0 C1C A:HEM147 3.1 16.5 1.0 C4B A:HEM147 3.1 14.6 1.0 CD2 A:HIS101 3.1 14.3 1.0 CHD A:HEM147 3.4 16.8 1.0 CHB A:HEM147 3.5 13.8 1.0 CHA A:HEM147 3.5 13.5 1.0 CHC A:HEM147 3.5 15.4 1.0 O A:HOH239 3.6 41.6 0.3 ND1 A:HIS101 4.2 13.5 1.0 CG A:HIS101 4.3 13.9 1.0 C3A A:HEM147 4.3 13.7 1.0 C2A A:HEM147 4.3 13.9 1.0 C2D A:HEM147 4.3 16.7 1.0 C3D A:HEM147 4.3 17.4 1.0 C2B A:HEM147 4.3 15.1 1.0 C2C A:HEM147 4.3 16.4 1.0 C3C A:HEM147 4.3 16.9 1.0 C3B A:HEM147 4.3 14.6 1.0 CE1 A:HIS69 4.5 16.4 1.0 CZ A:PHE97 4.8 16.0 1.0 NE2 A:HIS69 4.9 16.1 1.0 NH1 A:ARG104 5.0 27.1 1.0

Iron binding site 2 out of 2 in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F 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: M37F Unliganded within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:13.6 occ:1.00 FE B:HEM147 0.0 13.6 1.0 NA B:HEM147 2.0 12.0 1.0 ND B:HEM147 2.0 13.6 1.0 NC B:HEM147 2.0 12.7 1.0 NB B:HEM147 2.0 12.4 1.0 NE2 B:HIS101 2.1 12.6 1.0 C4A B:HEM147 3.1 12.3 1.0 C1A B:HEM147 3.1 12.6 1.0 C4C B:HEM147 3.1 14.8 1.0 C1D B:HEM147 3.1 13.1 1.0 C4D B:HEM147 3.1 13.1 1.0 C1C B:HEM147 3.1 14.5 1.0 CE1 B:HIS101 3.1 13.6 1.0 C1B B:HEM147 3.1 12.3 1.0 C4B B:HEM147 3.1 14.2 1.0 CD2 B:HIS101 3.1 12.8 1.0 CHD B:HEM147 3.4 13.3 1.0 CHA B:HEM147 3.5 12.6 1.0 CHB B:HEM147 3.5 12.0 1.0 CHC B:HEM147 3.5 13.9 1.0 O B:HOH163 3.7 21.0 0.8 ND1 B:HIS101 4.2 12.8 1.0 C3A B:HEM147 4.3 12.2 1.0 CG B:HIS101 4.3 12.6 1.0 C2A B:HEM147 4.3 12.6 1.0 C2C B:HEM147 4.3 14.5 1.0 C3D B:HEM147 4.3 13.2 1.0 C2D B:HEM147 4.3 14.5 1.0 C3C B:HEM147 4.3 14.8 1.0 C2B B:HEM147 4.4 14.6 1.0 C3B B:HEM147 4.4 14.7 1.0 CE1 B:HIS69 4.5 15.2 1.0 CZ B:PHE97 4.8 14.7 1.0 NE2 B:HIS69 4.9 14.1 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