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Iron in PDB 3qjd: Human Hemoglobin A Mutant Alpha H58L Deoxy-Form

Protein crystallography data

The structure of Human Hemoglobin A Mutant Alpha H58L Deoxy-Form, PDB code: 3qjd was solved by I.Birukou, J.Soman, J.S.Olson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.60 / 1.56
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.650, 82.070, 53.490, 90.00, 99.51, 90.00
R / Rfree (%) 16.9 / 19.1

Iron Binding Sites:

The binding sites of Iron atom in the Human Hemoglobin A Mutant Alpha H58L Deoxy-Form (pdb code 3qjd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Human Hemoglobin A Mutant Alpha H58L Deoxy-Form, PDB code: 3qjd:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3qjd

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Iron binding site 1 out of 4 in the Human Hemoglobin A Mutant Alpha H58L Deoxy-Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Hemoglobin A Mutant Alpha H58L Deoxy-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe142

b:12.6
occ:1.00
FE A:HEM142 0.0 12.6 1.0
NB A:HEM142 2.1 10.0 1.0
NC A:HEM142 2.1 12.7 1.0
NA A:HEM142 2.1 11.0 1.0
ND A:HEM142 2.1 10.2 1.0
NE2 A:HIS87 2.3 11.1 1.0
CE1 A:HIS87 3.1 12.3 1.0
C4B A:HEM142 3.1 12.0 1.0
C1B A:HEM142 3.1 11.3 1.0
C1C A:HEM142 3.1 10.3 1.0
C4A A:HEM142 3.1 11.7 1.0
C1A A:HEM142 3.1 11.7 1.0
C4D A:HEM142 3.1 11.5 1.0
C1D A:HEM142 3.1 10.2 1.0
C4C A:HEM142 3.1 9.5 1.0
CD2 A:HIS87 3.4 9.9 1.0
CHC A:HEM142 3.5 12.7 1.0
CHB A:HEM142 3.5 12.6 1.0
CHA A:HEM142 3.5 11.5 1.0
CHD A:HEM142 3.5 10.3 1.0
ND1 A:HIS87 4.3 12.2 1.0
C3B A:HEM142 4.3 14.3 1.0
C2B A:HEM142 4.3 11.2 1.0
C2C A:HEM142 4.3 12.3 1.0
C3C A:HEM142 4.3 13.3 1.0
C3A A:HEM142 4.3 12.6 1.0
C2A A:HEM142 4.3 13.2 1.0
C3D A:HEM142 4.3 11.8 1.0
C2D A:HEM142 4.4 12.1 1.0
CG A:HIS87 4.4 12.2 1.0
CD1 A:LEU91 4.5 12.8 1.0

Iron binding site 2 out of 4 in 3qjd

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Iron binding site 2 out of 4 in the Human Hemoglobin A Mutant Alpha H58L Deoxy-Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Hemoglobin A Mutant Alpha H58L Deoxy-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe147

b:12.9
occ:1.00
FE B:HEM147 0.0 12.9 1.0
NC B:HEM147 2.0 10.1 1.0
NB B:HEM147 2.1 11.4 1.0
ND B:HEM147 2.1 10.9 1.0
NA B:HEM147 2.1 10.5 1.0
NE2 B:HIS92 2.2 10.4 1.0
C4C B:HEM147 3.1 10.7 1.0
C1C B:HEM147 3.1 10.9 1.0
C1D B:HEM147 3.1 11.1 1.0
C4B B:HEM147 3.1 12.1 1.0
CE1 B:HIS92 3.1 9.7 1.0
C1A B:HEM147 3.1 11.8 1.0
C4D B:HEM147 3.1 10.9 1.0
C4A B:HEM147 3.1 10.6 1.0
C1B B:HEM147 3.1 13.1 1.0
CD2 B:HIS92 3.3 10.9 1.0
CHD B:HEM147 3.4 11.1 1.0
CHC B:HEM147 3.4 13.7 1.0
CHA B:HEM147 3.5 14.6 1.0
CHB B:HEM147 3.5 12.3 1.0
CG2 B:VAL67 3.9 11.4 1.0
NE2 B:HIS63 4.2 17.2 1.0
ND1 B:HIS92 4.3 11.4 1.0
C3C B:HEM147 4.3 11.4 1.0
C2C B:HEM147 4.3 11.9 1.0
C3B B:HEM147 4.3 12.5 1.0
C2D B:HEM147 4.3 14.0 1.0
C2B B:HEM147 4.3 13.1 1.0
C3D B:HEM147 4.3 10.7 1.0
C2A B:HEM147 4.3 14.4 1.0
C3A B:HEM147 4.3 11.0 1.0
CG B:HIS92 4.4 9.7 1.0
CE1 B:HIS63 4.4 20.3 1.0
CD1 B:LEU96 5.0 13.3 1.0

Iron binding site 3 out of 4 in 3qjd

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Iron binding site 3 out of 4 in the Human Hemoglobin A Mutant Alpha H58L Deoxy-Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Human Hemoglobin A Mutant Alpha H58L Deoxy-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe142

b:11.7
occ:1.00
FE C:HEM142 0.0 11.7 1.0
NB C:HEM142 2.1 8.8 1.0
NA C:HEM142 2.1 12.6 1.0
ND C:HEM142 2.1 11.4 1.0
NC C:HEM142 2.1 11.9 1.0
NE2 C:HIS87 2.2 8.9 1.0
CE1 C:HIS87 3.1 10.0 1.0
C1B C:HEM142 3.1 10.2 1.0
C4B C:HEM142 3.1 9.4 1.0
C1D C:HEM142 3.1 10.4 1.0
C4A C:HEM142 3.1 13.4 1.0
C4C C:HEM142 3.1 11.1 1.0
C4D C:HEM142 3.1 8.8 1.0
C1A C:HEM142 3.1 10.1 1.0
C1C C:HEM142 3.1 10.6 1.0
CD2 C:HIS87 3.3 10.0 1.0
CHB C:HEM142 3.4 11.3 1.0
CHD C:HEM142 3.5 11.2 1.0
CHC C:HEM142 3.5 11.4 1.0
CHA C:HEM142 3.5 12.3 1.0
ND1 C:HIS87 4.2 12.0 1.0
C3B C:HEM142 4.3 10.7 1.0
C2B C:HEM142 4.3 11.2 1.0
C3A C:HEM142 4.3 10.4 1.0
C2D C:HEM142 4.3 14.1 1.0
C2A C:HEM142 4.3 11.2 1.0
C3D C:HEM142 4.3 11.8 1.0
C3C C:HEM142 4.3 9.1 1.0
C2C C:HEM142 4.4 9.4 1.0
CG C:HIS87 4.4 11.4 1.0
CD1 C:LEU91 4.5 8.6 1.0
CG2 C:VAL62 4.9 12.0 1.0

Iron binding site 4 out of 4 in 3qjd

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Iron binding site 4 out of 4 in the Human Hemoglobin A Mutant Alpha H58L Deoxy-Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Human Hemoglobin A Mutant Alpha H58L Deoxy-Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe147

b:13.4
occ:1.00
FE D:HEM147 0.0 13.4 1.0
NB D:HEM147 2.1 10.6 1.0
NC D:HEM147 2.1 11.6 1.0
NA D:HEM147 2.1 11.7 1.0
ND D:HEM147 2.1 12.5 1.0
NE2 D:HIS92 2.2 12.9 1.0
CE1 D:HIS92 3.0 12.9 1.0
C4B D:HEM147 3.1 11.6 1.0
C4C D:HEM147 3.1 12.9 1.0
C1C D:HEM147 3.1 12.3 1.0
C1B D:HEM147 3.1 11.1 1.0
C1A D:HEM147 3.1 14.8 1.0
C1D D:HEM147 3.1 13.1 1.0
C4A D:HEM147 3.1 12.5 1.0
C4D D:HEM147 3.1 12.0 1.0
CD2 D:HIS92 3.3 9.7 1.0
CHC D:HEM147 3.4 11.4 1.0
CHD D:HEM147 3.5 13.4 1.0
CHA D:HEM147 3.5 15.0 1.0
CHB D:HEM147 3.5 13.7 1.0
CG2 D:VAL67 4.1 12.8 1.0
ND1 D:HIS92 4.2 12.6 1.0
CE1 D:HIS63 4.2 12.8 1.0
C3B D:HEM147 4.3 12.9 1.0
C2B D:HEM147 4.3 11.3 1.0
C3C D:HEM147 4.3 13.1 1.0
C2C D:HEM147 4.3 11.6 1.0
C2A D:HEM147 4.3 12.6 1.0
C3A D:HEM147 4.3 14.7 1.0
CG D:HIS92 4.3 10.4 1.0
C3D D:HEM147 4.4 13.7 1.0
C2D D:HEM147 4.4 14.7 1.0
NE2 D:HIS63 4.6 19.2 1.0
CD1 D:LEU96 4.9 12.4 1.0

Reference:

I.Birukou, J.Soman, J.S.Olson. Determination of Pathways For Oxygen Binding to Human Hba Thesis.
Page generated: Sun Dec 13 15:19:04 2020

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