Iron in PDB 5hbi: Scapharca Dimeric Hemoglobin, Mutant T72I, Co-Liganded Form

The structure of Scapharca Dimeric Hemoglobin, Mutant T72I, Co-Liganded Form, PDB code: 5hbi 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 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.270, 43.750, 83.350, 90.00, 121.93, 90.00
R / Rfree (%)	19.4 / 24.3

The binding sites of Iron atom in the Scapharca Dimeric Hemoglobin, Mutant T72I, Co-Liganded Form (pdb code 5hbi). 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, Co-Liganded Form, PDB code: 5hbi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Scapharca Dimeric Hemoglobin, Mutant T72I, Co-Liganded 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, Co-Liganded Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe153 b:15.5 occ:1.00 FE A:HEM153 0.0 15.5 1.0 C A:CMO154 1.9 12.6 1.0 ND A:HEM153 2.0 15.8 1.0 NB A:HEM153 2.0 14.6 1.0 NC A:HEM153 2.0 14.8 1.0 NA A:HEM153 2.0 15.7 1.0 NE2 A:HIS101 2.2 15.9 1.0 O A:CMO154 3.0 17.0 1.0 C4D A:HEM153 3.0 15.2 1.0 C1C A:HEM153 3.0 13.2 1.0 C1D A:HEM153 3.0 17.4 1.0 C4B A:HEM153 3.0 14.8 1.0 C1A A:HEM153 3.0 16.2 1.0 C1B A:HEM153 3.0 16.4 1.0 C4C A:HEM153 3.0 17.1 1.0 C4A A:HEM153 3.0 16.1 1.0 CE1 A:HIS101 3.1 15.1 1.0 CD2 A:HIS101 3.2 13.7 1.0 CHA A:HEM153 3.4 16.1 1.0 CHC A:HEM153 3.4 13.6 1.0 CHD A:HEM153 3.4 15.3 1.0 CHB A:HEM153 3.4 14.3 1.0 C3D A:HEM153 4.2 18.6 1.0 C2D A:HEM153 4.2 18.8 1.0 C2C A:HEM153 4.3 15.9 1.0 C2A A:HEM153 4.3 17.4 1.0 C2B A:HEM153 4.3 15.9 1.0 C3C A:HEM153 4.3 16.3 1.0 C3B A:HEM153 4.3 13.9 1.0 C3A A:HEM153 4.3 17.4 1.0 CG A:HIS101 4.3 14.0 1.0 ND1 A:HIS101 4.3 14.6 1.0 CE1 A:HIS69 4.7 14.9 1.0 CD1 A:LEU73 4.8 21.1 1.0 CE1 A:PHE111 4.9 18.1 1.0 CZ A:PHE51 5.0 19.8 1.0

Iron binding site 2 out of 2 in the Scapharca Dimeric Hemoglobin, Mutant T72I, Co-Liganded 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, Co-Liganded Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe153 b:13.7 occ:1.00 FE B:HEM153 0.0 13.7 1.0 C B:CMO154 1.9 13.8 1.0 NA B:HEM153 2.0 14.0 1.0 ND B:HEM153 2.0 11.9 1.0 NB B:HEM153 2.0 13.0 1.0 NC B:HEM153 2.0 13.3 1.0 NE2 B:HIS101 2.2 14.1 1.0 O B:CMO154 3.0 15.7 1.0 C4D B:HEM153 3.0 12.0 1.0 C1A B:HEM153 3.0 13.6 1.0 C1D B:HEM153 3.0 10.6 1.0 C4A B:HEM153 3.0 12.8 1.0 C1B B:HEM153 3.0 11.3 1.0 C4B B:HEM153 3.0 11.8 1.0 C4C B:HEM153 3.0 11.6 1.0 C1C B:HEM153 3.0 14.1 1.0 CE1 B:HIS101 3.2 13.6 1.0 CD2 B:HIS101 3.2 12.8 1.0 CHA B:HEM153 3.4 11.6 1.0 CHD B:HEM153 3.4 10.9 1.0 CHB B:HEM153 3.4 13.7 1.0 CHC B:HEM153 3.4 11.9 1.0 C2A B:HEM153 4.2 14.1 1.0 C3D B:HEM153 4.2 12.2 1.0 C2D B:HEM153 4.2 12.6 1.0 C3A B:HEM153 4.3 14.8 1.0 C2B B:HEM153 4.3 11.9 1.0 C2C B:HEM153 4.3 14.1 1.0 C3B B:HEM153 4.3 12.5 1.0 C3C B:HEM153 4.3 12.6 1.0 CG B:HIS101 4.3 13.0 1.0 ND1 B:HIS101 4.3 12.5 1.0 CE1 B:HIS69 4.7 16.7 1.0 CE1 B:PHE111 4.8 12.6 1.0 CD1 B:LEU73 4.8 18.3 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