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

Protein crystallography data

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

Iron Binding Sites:

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 5hbi

Go back to Iron Binding Sites List in 5hbi
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 5hbi

Go back to Iron Binding Sites List in 5hbi
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

Reference:

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
Page generated: Sun Dec 13 16:03:01 2020

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