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Iron in PDB 1mko: A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution

Protein crystallography data

The structure of A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution, PDB code: 1mko was solved by M.K.Safo, D.J.Abraham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.18
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.530, 154.570, 55.270, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 28.4

Iron Binding Sites:

The binding sites of Iron atom in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution (pdb code 1mko). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution, PDB code: 1mko:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1mko

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Iron binding site 1 out of 4 in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe143

b:24.3
occ:1.00
FE A:HEM143 0.0 24.3 1.0
C A:CMO142 1.9 23.1 1.0
ND A:HEM143 2.0 22.1 1.0
NC A:HEM143 2.0 21.9 1.0
NB A:HEM143 2.0 18.9 1.0
NE2 A:HIS87 2.0 20.5 1.0
NA A:HEM143 2.1 22.8 1.0
CD2 A:HIS87 3.0 16.1 1.0
C4D A:HEM143 3.0 22.0 1.0
C1D A:HEM143 3.0 21.1 1.0
C1A A:HEM143 3.1 23.2 1.0
C4B A:HEM143 3.1 17.6 1.0
C1C A:HEM143 3.1 16.6 1.0
CE1 A:HIS87 3.1 24.9 1.0
C1B A:HEM143 3.1 20.5 1.0
C4C A:HEM143 3.1 21.1 1.0
C4A A:HEM143 3.1 20.7 1.0
O A:CMO142 3.1 28.1 1.0
CHA A:HEM143 3.4 22.6 1.0
CHC A:HEM143 3.4 19.7 1.0
CHD A:HEM143 3.5 18.8 1.0
CHB A:HEM143 3.5 14.1 1.0
CG A:HIS87 4.2 23.6 1.0
ND1 A:HIS87 4.2 19.9 1.0
C3D A:HEM143 4.2 19.3 1.0
C2D A:HEM143 4.2 17.7 1.0
C2C A:HEM143 4.3 15.7 1.0
C2A A:HEM143 4.3 19.6 1.0
C3A A:HEM143 4.3 19.9 1.0
C3B A:HEM143 4.3 21.1 1.0
C2B A:HEM143 4.4 21.0 1.0
C3C A:HEM143 4.4 18.1 1.0
NE2 A:HIS58 4.4 28.6 1.0
CG2 A:VAL62 4.7 25.9 1.0

Iron binding site 2 out of 4 in 1mko

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Iron binding site 2 out of 4 in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe148

b:26.1
occ:1.00
FE B:HEM148 0.0 26.1 1.0
C B:CMO147 1.8 16.9 1.0
ND B:HEM148 2.0 23.0 1.0
NB B:HEM148 2.0 24.2 1.0
NC B:HEM148 2.0 22.7 1.0
NE2 B:HIS92 2.1 22.7 1.0
NA B:HEM148 2.1 24.6 1.0
C4C B:HEM148 3.0 15.8 1.0
O B:CMO147 3.0 20.8 1.0
C4D B:HEM148 3.0 27.3 1.0
CE1 B:HIS92 3.0 30.1 1.0
C1D B:HEM148 3.0 22.3 1.0
C1C B:HEM148 3.1 16.6 1.0
C1B B:HEM148 3.1 29.1 1.0
C1A B:HEM148 3.1 21.3 1.0
C4A B:HEM148 3.1 21.8 1.0
C4B B:HEM148 3.1 25.8 1.0
CD2 B:HIS92 3.2 28.8 1.0
CHD B:HEM148 3.4 21.4 1.0
CHA B:HEM148 3.4 18.2 1.0
CHB B:HEM148 3.4 29.2 1.0
CHC B:HEM148 3.5 17.4 1.0
C2D B:HEM148 4.2 19.4 1.0
ND1 B:HIS92 4.2 28.5 1.0
C3D B:HEM148 4.2 24.1 1.0
C3C B:HEM148 4.3 18.4 1.0
C2C B:HEM148 4.3 17.3 1.0
C2B B:HEM148 4.3 25.4 1.0
C3A B:HEM148 4.3 24.4 1.0
CG B:HIS92 4.3 28.9 1.0
C2A B:HEM148 4.4 27.1 1.0
C3B B:HEM148 4.4 21.1 1.0
NE2 B:HIS63 4.4 19.2 1.0
CG2 B:VAL67 4.8 19.9 1.0

Iron binding site 3 out of 4 in 1mko

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Iron binding site 3 out of 4 in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe143

b:26.2
occ:1.00
FE C:HEM143 0.0 26.2 1.0
C C:CMO142 1.8 20.0 1.0
NB C:HEM143 2.0 23.4 1.0
ND C:HEM143 2.0 23.9 1.0
NC C:HEM143 2.0 28.1 1.0
NE2 C:HIS87 2.0 21.1 1.0
NA C:HEM143 2.1 28.4 1.0
C4B C:HEM143 3.0 29.1 1.0
CD2 C:HIS87 3.0 23.7 1.0
CE1 C:HIS87 3.0 23.9 1.0
C1C C:HEM143 3.0 28.0 1.0
C1D C:HEM143 3.0 23.9 1.0
C1B C:HEM143 3.0 28.6 1.0
O C:CMO142 3.1 29.4 1.0
C4A C:HEM143 3.1 24.1 1.0
C4C C:HEM143 3.1 24.8 1.0
C4D C:HEM143 3.1 27.8 1.0
C1A C:HEM143 3.2 24.9 1.0
CHC C:HEM143 3.4 28.2 1.0
CHB C:HEM143 3.4 30.3 1.0
CHD C:HEM143 3.5 20.4 1.0
CHA C:HEM143 3.6 20.4 1.0
ND1 C:HIS87 4.2 20.0 1.0
CG C:HIS87 4.2 22.8 1.0
C2D C:HEM143 4.2 23.9 1.0
C2B C:HEM143 4.3 29.9 1.0
C3A C:HEM143 4.3 26.7 1.0
C3B C:HEM143 4.3 29.2 1.0
C2C C:HEM143 4.3 28.8 1.0
C3C C:HEM143 4.3 26.2 1.0
NE2 C:HIS58 4.3 34.6 1.0
C3D C:HEM143 4.3 24.5 1.0
C2A C:HEM143 4.4 24.3 1.0
CG2 C:VAL62 5.0 32.1 1.0

Iron binding site 4 out of 4 in 1mko

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Iron binding site 4 out of 4 in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe148

b:24.4
occ:1.00
FE D:HEM148 0.0 24.4 1.0
C D:CMO147 1.8 19.4 1.0
ND D:HEM148 2.0 23.8 1.0
NB D:HEM148 2.0 22.9 1.0
NC D:HEM148 2.0 25.0 1.0
NA D:HEM148 2.1 21.9 1.0
NE2 D:HIS92 2.1 22.8 1.0
O D:CMO147 2.9 22.7 1.0
C1D D:HEM148 3.0 23.7 1.0
CD2 D:HIS92 3.0 17.2 1.0
C4D D:HEM148 3.0 26.7 1.0
C1A D:HEM148 3.0 19.8 1.0
C4C D:HEM148 3.1 21.2 1.0
C1B D:HEM148 3.1 28.8 1.0
C1C D:HEM148 3.1 21.8 1.0
C4B D:HEM148 3.1 26.7 1.0
CE1 D:HIS92 3.1 22.1 1.0
C4A D:HEM148 3.1 24.0 1.0
CHD D:HEM148 3.4 19.9 1.0
CHA D:HEM148 3.4 22.9 1.0
CHC D:HEM148 3.5 21.4 1.0
CHB D:HEM148 3.5 26.8 1.0
CG D:HIS92 4.2 23.2 1.0
ND1 D:HIS92 4.2 21.6 1.0
C2D D:HEM148 4.2 20.6 1.0
C3D D:HEM148 4.3 26.9 1.0
C2A D:HEM148 4.3 26.4 1.0
C2B D:HEM148 4.3 25.6 1.0
C3C D:HEM148 4.3 22.6 1.0
C2C D:HEM148 4.3 21.0 1.0
C3B D:HEM148 4.3 23.4 1.0
C3A D:HEM148 4.3 24.3 1.0
NE2 D:HIS63 4.4 29.3 1.0
CG2 D:VAL67 5.0 22.0 1.0

Reference:

M.K.Safo, D.J.Abraham. The Enigma of the Liganded Hemoglobin End State: A Novel Quaternary Structure of Human Carbonmonoxy Hemoglobin. Biochemistry V. 44 8347 2005.
ISSN: ISSN 0006-2960
PubMed: 15938624
DOI: 10.1021/BI050412Q
Page generated: Sun Dec 13 14:23:46 2020

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