Iron in PDB 4hbi: Scapharca Dimeric Hemoglobin, Mutant T72I, Deoxy Form

The structure of Scapharca Dimeric Hemoglobin, Mutant T72I, Deoxy Form, PDB code: 4hbi was solved by W.E.Royer Junior, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	91.760, 44.320, 143.790, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.3

The binding sites of Iron atom in the Scapharca Dimeric Hemoglobin, Mutant T72I, Deoxy Form (pdb code 4hbi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Scapharca Dimeric Hemoglobin, Mutant T72I, Deoxy Form, PDB code: 4hbi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Scapharca Dimeric Hemoglobin, Mutant T72I, Deoxy Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Scapharca Dimeric Hemoglobin, Mutant T72I, Deoxy Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe153 b:13.4 occ:1.00 FE A:HEM153 0.0 13.4 1.0 ND A:HEM153 2.0 15.5 1.0 NB A:HEM153 2.0 16.5 1.0 NA A:HEM153 2.0 14.3 1.0 NC A:HEM153 2.0 16.6 1.0 NE2 A:HIS101 2.2 15.8 1.0 C1D A:HEM153 3.0 16.0 1.0 C4D A:HEM153 3.0 15.5 1.0 C1B A:HEM153 3.0 14.9 1.0 C4A A:HEM153 3.0 13.6 1.0 C4C A:HEM153 3.0 16.2 1.0 C4B A:HEM153 3.0 15.1 1.0 C1A A:HEM153 3.0 12.7 1.0 C1C A:HEM153 3.0 14.7 1.0 CE1 A:HIS101 3.2 13.4 1.0 CD2 A:HIS101 3.2 14.3 1.0 CHD A:HEM153 3.4 15.4 1.0 CHB A:HEM153 3.4 14.5 1.0 CHC A:HEM153 3.4 14.7 1.0 CHA A:HEM153 3.4 12.8 1.0 O A:HOH238 3.5 23.5 1.0 C3D A:HEM153 4.3 15.9 1.0 C2D A:HEM153 4.3 16.2 1.0 C3A A:HEM153 4.3 12.0 1.0 C2B A:HEM153 4.3 15.9 1.0 C3B A:HEM153 4.3 14.7 1.0 C2C A:HEM153 4.3 15.4 1.0 C2A A:HEM153 4.3 13.2 1.0 C3C A:HEM153 4.3 16.6 1.0 CG A:HIS101 4.4 13.6 1.0 ND1 A:HIS101 4.4 14.2 1.0 CE1 A:HIS69 4.5 13.8 1.0 CZ A:PHE97 4.9 15.4 1.0 NE2 A:HIS69 5.0 12.2 1.0 CE1 A:PHE111 5.0 15.5 1.0

Iron binding site 2 out of 2 in the Scapharca Dimeric Hemoglobin, Mutant T72I, Deoxy Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Scapharca Dimeric Hemoglobin, Mutant T72I, Deoxy Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe153 b:15.4 occ:1.00 FE B:HEM153 0.0 15.4 1.0 ND B:HEM153 2.0 14.4 1.0 NA B:HEM153 2.0 14.5 1.0 NB B:HEM153 2.0 14.3 1.0 NC B:HEM153 2.0 14.9 1.0 NE2 B:HIS101 2.3 15.3 1.0 C4D B:HEM153 3.0 13.8 1.0 C1D B:HEM153 3.0 15.6 1.0 C4A B:HEM153 3.0 12.9 1.0 C1A B:HEM153 3.0 12.1 1.0 C4B B:HEM153 3.0 13.4 1.0 C1B B:HEM153 3.0 12.6 1.0 C4C B:HEM153 3.0 15.1 1.0 C1C B:HEM153 3.0 13.7 1.0 CE1 B:HIS101 3.2 14.7 1.0 CD2 B:HIS101 3.2 14.3 1.0 CHA B:HEM153 3.4 11.8 1.0 CHD B:HEM153 3.4 15.0 1.0 CHB B:HEM153 3.4 13.2 1.0 CHC B:HEM153 3.4 12.9 1.0 O B:HOH202 3.5 20.2 1.0 C3D B:HEM153 4.3 14.7 1.0 C2D B:HEM153 4.3 14.4 1.0 C2A B:HEM153 4.3 12.6 1.0 C3A B:HEM153 4.3 11.6 1.0 C2B B:HEM153 4.3 14.3 1.0 C3B B:HEM153 4.3 14.9 1.0 C2C B:HEM153 4.3 13.9 1.0 C3C B:HEM153 4.3 14.6 1.0 CG B:HIS101 4.4 14.9 1.0 ND1 B:HIS101 4.4 14.5 1.0 CE1 B:HIS69 4.5 12.2 1.0 NE2 B:HIS69 4.9 11.3 1.0 CZ B:PHE97 4.9 18.6 1.0 CE1 B:PHE111 5.0 16.6 1.0

A.Pardanani, A.Gambacurta, F.Ascoli, W.E.Royer Jr.. Mutational Destabilization of the Critical Interface Water Cluster in Scapharca Dimeric Hemoglobin: Structural Basis For Altered Allosteric Activity. J.Mol.Biol. V. 284 729 1998.
ISSN: ISSN 0022-2836
PubMed: 9826511
DOI: 10.1006/JMBI.1998.2195