Iron in PDB 2z8a: Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: I25W with Co Bound to Heme and in the Presence of 3 Atoms of Xe

The structure of Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: I25W with Co Bound to Heme and in the Presence of 3 Atoms of Xe, PDB code: 2z8a 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)	46.30 / 1.06
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.660, 43.390, 82.290, 90.00, 122.02, 90.00
R / Rfree (%)	14.3 / 16.2

The structure of Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: I25W with Co Bound to Heme and in the Presence of 3 Atoms of Xe also contains other interesting chemical elements:

Xenon

(Xe)

4 atoms

The binding sites of Iron atom in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: I25W with Co Bound to Heme and in the Presence of 3 Atoms of Xe (pdb code 2z8a). 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: I25W with Co Bound to Heme and in the Presence of 3 Atoms of Xe, PDB code: 2z8a:
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: I25W with Co Bound to Heme and in the Presence of 3 Atoms of Xe


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: I25W with Co Bound to Heme and in the Presence of 3 Atoms of Xe within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1147 b:6.9 occ:1.00 FE A:HEM1147 0.0 6.9 1.0 C A:CMO1148 1.8 9.2 1.0 NB A:HEM1147 2.0 8.2 1.0 ND A:HEM1147 2.0 8.1 1.0 NC A:HEM1147 2.0 8.1 1.0 NA A:HEM1147 2.0 7.8 1.0 NE2 A:HIS1101 2.0 7.7 1.0 O A:CMO1148 3.0 9.9 1.0 C4B A:HEM1147 3.0 8.2 1.0 CE1 A:HIS1101 3.0 8.3 1.0 C4D A:HEM1147 3.0 8.4 1.0 C1C A:HEM1147 3.0 8.0 1.0 C1A A:HEM1147 3.0 8.4 1.0 C4A A:HEM1147 3.0 8.2 1.0 C1D A:HEM1147 3.0 8.2 1.0 C4C A:HEM1147 3.0 8.2 1.0 C1B A:HEM1147 3.0 8.7 1.0 CD2 A:HIS1101 3.1 8.0 1.0 CHC A:HEM1147 3.4 8.7 1.0 CHD A:HEM1147 3.4 8.9 1.0 CHA A:HEM1147 3.4 8.3 1.0 CHB A:HEM1147 3.4 8.9 1.0 ND1 A:HIS1101 4.1 8.5 1.0 CG A:HIS1101 4.2 7.9 1.0 C3B A:HEM1147 4.3 8.8 1.0 C2B A:HEM1147 4.3 9.2 1.0 C2D A:HEM1147 4.3 8.8 1.0 C2C A:HEM1147 4.3 8.5 1.0 C3C A:HEM1147 4.3 8.3 1.0 C3D A:HEM1147 4.3 8.9 1.0 C2A A:HEM1147 4.3 8.7 1.0 C3A A:HEM1147 4.3 8.6 1.0 CD1 A:LEU1073 4.5 11.9 1.0 CE1 A:HIS1069 4.6 10.6 1.0 CE1 A:PHE1111 4.8 10.8 1.0

Iron binding site 2 out of 2 in the Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca Inaequivalvis: I25W with Co Bound to Heme and in the Presence of 3 Atoms of Xe


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: I25W with Co Bound to Heme and in the Presence of 3 Atoms of Xe within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2147 b:6.8 occ:1.00 FE B:HEM2147 0.0 6.8 1.0 C B:CMO2148 1.8 8.8 1.0 NB B:HEM2147 2.0 7.8 1.0 ND B:HEM2147 2.0 7.9 1.0 NA B:HEM2147 2.0 7.9 1.0 NC B:HEM2147 2.0 7.8 1.0 NE2 B:HIS2101 2.0 7.7 1.0 O B:CMO2148 3.0 9.9 1.0 C4B B:HEM2147 3.0 7.8 1.0 CE1 B:HIS2101 3.0 8.1 1.0 C1A B:HEM2147 3.0 8.5 1.0 C4D B:HEM2147 3.0 8.2 1.0 C1B B:HEM2147 3.0 8.0 1.0 C1C B:HEM2147 3.0 7.5 1.0 C4A B:HEM2147 3.0 8.4 1.0 C1D B:HEM2147 3.0 8.7 1.0 C4C B:HEM2147 3.0 7.9 1.0 CD2 B:HIS2101 3.1 8.2 1.0 CHC B:HEM2147 3.4 8.0 1.0 CHA B:HEM2147 3.4 8.6 1.0 CHD B:HEM2147 3.4 8.6 1.0 CHB B:HEM2147 3.4 8.3 1.0 ND1 B:HIS2101 4.2 8.7 1.0 CG B:HIS2101 4.2 8.2 1.0 C2B B:HEM2147 4.3 8.5 1.0 C3B B:HEM2147 4.3 8.2 1.0 C2D B:HEM2147 4.3 9.7 1.0 C2A B:HEM2147 4.3 9.0 1.0 C2C B:HEM2147 4.3 7.9 1.0 C3C B:HEM2147 4.3 8.3 1.0 C3D B:HEM2147 4.3 9.2 1.0 C3A B:HEM2147 4.3 9.0 1.0 CD1 B:LEU2073 4.5 10.7 1.0 CE1 B:HIS2069 4.7 9.4 1.0 CE2 B:PHE2111 4.9 10.5 1.0 CZ B:PHE2051 5.0 11.6 1.0 CE1 B:PHE2051 5.0 11.2 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