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Iron in PDB 1i3e: Human Azido-Met Hemoglobin Bart'S (GAMMA4)

Protein crystallography data

The structure of Human Azido-Met Hemoglobin Bart'S (GAMMA4), PDB code: 1i3e was solved by R.D.Kidd, H.M.Baker, A.J.Mathews, T.Brittain, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.86
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 60.541, 81.625, 53.036, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 22

Iron Binding Sites:

The binding sites of Iron atom in the Human Azido-Met Hemoglobin Bart'S (GAMMA4) (pdb code 1i3e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Human Azido-Met Hemoglobin Bart'S (GAMMA4), PDB code: 1i3e:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1i3e

Go back to Iron Binding Sites List in 1i3e
Iron binding site 1 out of 2 in the Human Azido-Met Hemoglobin Bart'S (GAMMA4)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Azido-Met Hemoglobin Bart'S (GAMMA4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe147

b:12.4
occ:1.00
FE A:HEM147 0.0 12.4 1.0
NA A:HEM147 2.0 11.3 1.0
NB A:HEM147 2.0 9.4 1.0
NC A:HEM147 2.0 10.3 1.0
ND A:HEM147 2.0 10.7 1.0
NE2 A:HIS92 2.1 9.7 1.0
N1 A:AZI148 2.2 13.8 1.0
N2 A:AZI148 2.9 15.6 1.0
C1C A:HEM147 3.0 11.5 1.0
C4B A:HEM147 3.0 11.3 1.0
C4D A:HEM147 3.0 13.2 1.0
C1A A:HEM147 3.0 13.6 1.0
C4C A:HEM147 3.0 12.4 1.0
C1B A:HEM147 3.0 9.6 1.0
C4A A:HEM147 3.0 11.4 1.0
C1D A:HEM147 3.0 11.0 1.0
CD2 A:HIS92 3.1 9.2 1.0
CE1 A:HIS92 3.2 9.8 1.0
CHA A:HEM147 3.4 12.8 1.0
CHB A:HEM147 3.4 9.8 1.0
CHC A:HEM147 3.4 11.1 1.0
CHD A:HEM147 3.5 13.1 1.0
N3 A:AZI148 3.9 17.2 1.0
NE2 A:HIS63 4.2 11.8 1.0
C3A A:HEM147 4.2 13.1 1.0
CG A:HIS92 4.2 9.4 1.0
C2B A:HEM147 4.2 8.6 1.0
C2A A:HEM147 4.3 12.2 1.0
C3B A:HEM147 4.3 10.1 1.0
ND1 A:HIS92 4.3 9.5 1.0
C3C A:HEM147 4.3 11.7 1.0
C2C A:HEM147 4.3 10.8 1.0
C2D A:HEM147 4.3 16.0 1.0
C3D A:HEM147 4.3 11.7 1.0
CG2 A:VAL67 4.7 9.1 1.0
CE1 A:HIS63 5.0 11.4 1.0

Iron binding site 2 out of 2 in 1i3e

Go back to Iron Binding Sites List in 1i3e
Iron binding site 2 out of 2 in the Human Azido-Met Hemoglobin Bart'S (GAMMA4)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Azido-Met Hemoglobin Bart'S (GAMMA4) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe147

b:14.7
occ:1.00
FE B:HEM147 0.0 14.7 1.0
NB B:HEM147 2.0 11.9 1.0
NA B:HEM147 2.0 13.3 1.0
ND B:HEM147 2.0 12.7 1.0
NC B:HEM147 2.0 10.9 1.0
NE2 B:HIS92 2.1 14.1 1.0
N1 B:AZI148 2.2 14.0 1.0
N2 B:AZI148 2.9 15.0 1.0
C1A B:HEM147 3.0 13.9 1.0
C4D B:HEM147 3.0 14.2 1.0
C4B B:HEM147 3.0 13.0 1.0
C1C B:HEM147 3.0 11.3 1.0
C1B B:HEM147 3.0 14.0 1.0
C4A B:HEM147 3.0 14.4 1.0
C4C B:HEM147 3.0 13.9 1.0
CD2 B:HIS92 3.1 12.6 1.0
C1D B:HEM147 3.1 12.5 1.0
CE1 B:HIS92 3.1 12.6 1.0
CHB B:HEM147 3.4 13.5 1.0
CHA B:HEM147 3.4 14.2 1.0
CHD B:HEM147 3.4 11.0 1.0
CHC B:HEM147 3.5 12.0 1.0
N3 B:AZI148 4.0 16.0 1.0
C3A B:HEM147 4.2 16.0 1.0
CG B:HIS92 4.2 12.9 1.0
C2B B:HEM147 4.2 13.8 1.0
C2A B:HEM147 4.2 15.0 1.0
ND1 B:HIS92 4.3 12.8 1.0
NE2 B:HIS63 4.3 14.6 1.0
C3B B:HEM147 4.3 13.9 1.0
C3C B:HEM147 4.3 12.9 1.0
C3D B:HEM147 4.3 12.9 1.0
C2C B:HEM147 4.3 12.1 1.0
C2D B:HEM147 4.4 15.8 1.0
CG2 B:VAL67 4.7 10.1 1.0

Reference:

R.D.Kidd, H.M.Baker, A.J.Mathews, T.Brittain, E.N.Baker. Oligomerization and Ligand Binding in A Homotetrameric Hemoglobin: Two High-Resolution Crystal Structures of Hemoglobin Bart'S (Gamma(4)), A Marker For Alpha-Thalassemia. Protein Sci. V. 10 1739 2001.
ISSN: ISSN 0961-8368
PubMed: 11514664
DOI: 10.1110/PS.11701
Page generated: Sun Dec 13 14:18:12 2020

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