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Iron in PDB 4mqj: Structure of Wild-Type Fetal Human Hemoglobin Hbf

Protein crystallography data

The structure of Structure of Wild-Type Fetal Human Hemoglobin Hbf, PDB code: 4mqj was solved by J.Soman, J.S.Olson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.14 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 105.651, 52.427, 106.153, 90.00, 113.84, 90.00
R / Rfree (%) 18 / 21.5

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Wild-Type Fetal Human Hemoglobin Hbf (pdb code 4mqj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Structure of Wild-Type Fetal Human Hemoglobin Hbf, PDB code: 4mqj:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 4mqj

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Iron binding site 1 out of 8 in the Structure of Wild-Type Fetal Human Hemoglobin Hbf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Wild-Type Fetal Human Hemoglobin Hbf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:12.4
occ:1.00
FE A:HEM201 0.0 12.4 1.0
C A:CMO202 1.8 15.7 1.0
NC A:HEM201 2.0 12.5 1.0
NA A:HEM201 2.1 12.1 1.0
NB A:HEM201 2.1 15.8 1.0
ND A:HEM201 2.1 13.0 1.0
NE2 A:HIS87 2.2 13.2 1.0
O A:CMO202 3.0 15.7 1.0
C4C A:HEM201 3.0 13.8 1.0
C1C A:HEM201 3.1 11.8 1.0
C4B A:HEM201 3.1 11.2 1.0
C1A A:HEM201 3.1 12.2 1.0
C4A A:HEM201 3.1 12.8 1.0
C4D A:HEM201 3.1 13.9 1.0
C1B A:HEM201 3.1 13.0 1.0
C1D A:HEM201 3.1 15.0 1.0
CD2 A:HIS87 3.1 12.2 1.0
CE1 A:HIS87 3.2 12.7 1.0
CHA A:HEM201 3.4 12.0 1.0
CHC A:HEM201 3.5 9.7 1.0
CHD A:HEM201 3.5 15.6 1.0
CHB A:HEM201 3.5 14.5 1.0
C3C A:HEM201 4.3 10.4 1.0
C2C A:HEM201 4.3 9.4 1.0
ND1 A:HIS87 4.3 12.9 1.0
CG A:HIS87 4.3 10.8 1.0
C3B A:HEM201 4.3 12.1 1.0
C3A A:HEM201 4.3 11.8 1.0
C2A A:HEM201 4.3 15.7 1.0
C2B A:HEM201 4.3 12.1 1.0
C3D A:HEM201 4.3 12.2 1.0
C2D A:HEM201 4.3 11.7 1.0
NE2 A:HIS58 4.5 15.2 1.0
CG2 A:VAL62 4.9 18.1 1.0

Iron binding site 2 out of 8 in 4mqj

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Iron binding site 2 out of 8 in the Structure of Wild-Type Fetal Human Hemoglobin Hbf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Wild-Type Fetal Human Hemoglobin Hbf within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:19.9
occ:1.00
FE B:HEM201 0.0 19.9 1.0
NA B:HEM201 2.0 22.0 1.0
ND B:HEM201 2.0 20.6 1.0
NB B:HEM201 2.1 18.9 1.0
NC B:HEM201 2.1 21.9 1.0
NE2 B:HIS92 2.1 21.0 1.0
O B:HOH302 2.4 22.4 1.0
C4D B:HEM201 3.0 24.1 1.0
C1D B:HEM201 3.0 24.1 1.0
C1A B:HEM201 3.1 23.6 1.0
CE1 B:HIS92 3.1 22.1 1.0
C4A B:HEM201 3.1 21.4 1.0
C4C B:HEM201 3.1 18.5 1.0
C1B B:HEM201 3.1 20.3 1.0
CD2 B:HIS92 3.1 24.6 1.0
C1C B:HEM201 3.1 17.7 1.0
C4B B:HEM201 3.1 22.3 1.0
CHA B:HEM201 3.4 22.7 1.0
CHD B:HEM201 3.4 19.3 1.0
CHB B:HEM201 3.4 20.4 1.0
CHC B:HEM201 3.5 17.5 1.0
ND1 B:HIS92 4.2 22.8 1.0
CG B:HIS92 4.2 22.2 1.0
C2D B:HEM201 4.3 24.5 1.0
C2A B:HEM201 4.3 23.2 1.0
C3D B:HEM201 4.3 22.3 1.0
C3A B:HEM201 4.3 22.6 1.0
NE2 B:HIS63 4.3 26.5 1.0
C3C B:HEM201 4.3 17.6 1.0
C2B B:HEM201 4.3 18.8 1.0
C2C B:HEM201 4.3 17.1 1.0
C3B B:HEM201 4.3 19.9 1.0
CG2 B:VAL67 4.6 19.1 1.0

Iron binding site 3 out of 8 in 4mqj

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Iron binding site 3 out of 8 in the Structure of Wild-Type Fetal Human Hemoglobin Hbf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Wild-Type Fetal Human Hemoglobin Hbf within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe201

b:13.0
occ:1.00
FE G:HEM201 0.0 13.0 1.0
C G:CMO202 1.7 11.5 1.0
NA G:HEM201 2.0 13.6 1.0
NC G:HEM201 2.1 11.9 1.0
NB G:HEM201 2.1 13.1 1.0
ND G:HEM201 2.1 14.3 1.0
NE2 G:HIS87 2.2 13.0 1.0
O G:CMO202 2.9 20.3 1.0
C1A G:HEM201 3.0 12.6 1.0
C4A G:HEM201 3.0 11.6 1.0
C1B G:HEM201 3.1 10.7 1.0
C1C G:HEM201 3.1 14.6 1.0
C4D G:HEM201 3.1 12.8 1.0
C4C G:HEM201 3.1 13.8 1.0
C4B G:HEM201 3.1 10.6 1.0
C1D G:HEM201 3.1 15.0 1.0
CD2 G:HIS87 3.1 14.4 1.0
CE1 G:HIS87 3.1 16.4 1.0
CHA G:HEM201 3.4 13.1 1.0
CHB G:HEM201 3.4 11.0 1.0
CHC G:HEM201 3.5 9.7 1.0
CHD G:HEM201 3.5 16.4 1.0
C2A G:HEM201 4.2 13.0 1.0
C3A G:HEM201 4.2 13.7 1.0
ND1 G:HIS87 4.3 15.8 1.0
C2B G:HEM201 4.3 12.6 1.0
C2C G:HEM201 4.3 13.8 1.0
C3C G:HEM201 4.3 13.5 1.0
CG G:HIS87 4.3 14.0 1.0
C3B G:HEM201 4.3 12.1 1.0
C3D G:HEM201 4.3 13.9 1.0
C2D G:HEM201 4.3 16.7 1.0
NE2 G:HIS58 4.5 17.8 1.0

Iron binding site 4 out of 8 in 4mqj

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Iron binding site 4 out of 8 in the Structure of Wild-Type Fetal Human Hemoglobin Hbf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Wild-Type Fetal Human Hemoglobin Hbf within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe201

b:15.7
occ:1.00
FE H:HEM201 0.0 15.7 1.0
NC H:HEM201 2.0 16.3 1.0
NB H:HEM201 2.0 15.1 1.0
ND H:HEM201 2.0 16.9 1.0
NA H:HEM201 2.1 17.3 1.0
NE2 H:HIS92 2.1 16.2 1.0
O H:HOH301 2.5 17.3 1.0
CE1 H:HIS92 3.0 16.9 1.0
C1C H:HEM201 3.0 15.2 1.0
C4C H:HEM201 3.1 16.0 1.0
C1D H:HEM201 3.1 20.1 1.0
C4D H:HEM201 3.1 18.2 1.0
C1B H:HEM201 3.1 14.0 1.0
C4B H:HEM201 3.1 17.0 1.0
C1A H:HEM201 3.1 17.7 1.0
C4A H:HEM201 3.1 17.0 1.0
CD2 H:HIS92 3.1 16.4 1.0
CHD H:HEM201 3.4 19.4 1.0
CHC H:HEM201 3.4 16.0 1.0
CHA H:HEM201 3.4 18.6 1.0
CHB H:HEM201 3.4 14.9 1.0
ND1 H:HIS92 4.2 19.8 1.0
CG H:HIS92 4.2 17.2 1.0
C2C H:HEM201 4.3 13.8 1.0
C3C H:HEM201 4.3 15.2 1.0
C3D H:HEM201 4.3 21.1 1.0
C2D H:HEM201 4.3 21.8 1.0
C2A H:HEM201 4.3 18.2 1.0
C2B H:HEM201 4.3 13.5 1.0
C3B H:HEM201 4.3 14.3 1.0
C3A H:HEM201 4.3 17.2 1.0
NE2 H:HIS63 4.5 26.7 1.0
CG2 H:VAL67 4.6 20.4 1.0

Iron binding site 5 out of 8 in 4mqj

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Iron binding site 5 out of 8 in the Structure of Wild-Type Fetal Human Hemoglobin Hbf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Wild-Type Fetal Human Hemoglobin Hbf within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:17.5
occ:1.00
FE C:HEM201 0.0 17.5 1.0
C C:CMO202 1.7 20.1 1.0
NA C:HEM201 2.0 17.7 1.0
NB C:HEM201 2.1 17.1 1.0
NC C:HEM201 2.1 21.6 1.0
ND C:HEM201 2.1 25.7 1.0
NE2 C:HIS87 2.1 17.3 1.0
O C:CMO202 2.9 25.6 1.0
CE1 C:HIS87 3.0 23.4 1.0
C1A C:HEM201 3.1 18.6 1.0
C4A C:HEM201 3.1 18.8 1.0
C4D C:HEM201 3.1 21.2 1.0
C1B C:HEM201 3.1 21.8 1.0
C4B C:HEM201 3.1 15.2 1.0
C1C C:HEM201 3.1 18.7 1.0
C4C C:HEM201 3.1 18.0 1.0
C1D C:HEM201 3.1 21.1 1.0
CD2 C:HIS87 3.2 17.4 1.0
CHA C:HEM201 3.4 19.0 1.0
CHB C:HEM201 3.5 21.6 1.0
CHC C:HEM201 3.5 19.6 1.0
CHD C:HEM201 3.5 18.7 1.0
ND1 C:HIS87 4.2 23.2 1.0
C3A C:HEM201 4.3 18.8 1.0
C2A C:HEM201 4.3 19.3 1.0
CG C:HIS87 4.3 20.4 1.0
C2C C:HEM201 4.3 16.5 1.0
C2B C:HEM201 4.3 15.7 1.0
C3B C:HEM201 4.3 16.0 1.0
C3C C:HEM201 4.3 17.9 1.0
C3D C:HEM201 4.3 22.4 1.0
C2D C:HEM201 4.3 22.4 1.0
NE2 C:HIS58 4.6 24.5 1.0

Iron binding site 6 out of 8 in 4mqj

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Iron binding site 6 out of 8 in the Structure of Wild-Type Fetal Human Hemoglobin Hbf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Wild-Type Fetal Human Hemoglobin Hbf within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:18.8
occ:1.00
FE D:HEM201 0.0 18.8 1.0
NA D:HEM201 2.0 17.9 1.0
NB D:HEM201 2.0 18.8 1.0
NE2 D:HIS92 2.1 20.1 1.0
NC D:HEM201 2.1 18.6 1.0
ND D:HEM201 2.1 18.5 1.0
O D:HOH307 2.6 19.3 1.0
CE1 D:HIS92 3.0 29.6 1.0
C1A D:HEM201 3.1 19.0 1.0
C1C D:HEM201 3.1 16.5 1.0
C4A D:HEM201 3.1 17.6 1.0
C1B D:HEM201 3.1 19.9 1.0
C4D D:HEM201 3.1 19.6 1.0
C4B D:HEM201 3.1 19.7 1.0
C4C D:HEM201 3.1 17.1 1.0
CD2 D:HIS92 3.1 19.2 1.0
C1D D:HEM201 3.1 29.1 1.0
CHA D:HEM201 3.4 21.6 1.0
CHC D:HEM201 3.4 16.0 1.0
CHB D:HEM201 3.4 16.6 1.0
CHD D:HEM201 3.5 26.8 1.0
ND1 D:HIS92 4.1 20.4 1.0
CG D:HIS92 4.2 20.3 1.0
C2A D:HEM201 4.3 19.5 1.0
C2C D:HEM201 4.3 21.6 1.0
C3A D:HEM201 4.3 18.6 1.0
C2B D:HEM201 4.3 19.6 1.0
C3C D:HEM201 4.3 17.9 1.0
C3B D:HEM201 4.3 21.2 1.0
C3D D:HEM201 4.3 20.5 1.0
C2D D:HEM201 4.3 26.0 1.0
NE2 D:HIS63 4.4 27.0 1.0
CG2 D:VAL67 4.6 17.9 1.0

Iron binding site 7 out of 8 in 4mqj

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Iron binding site 7 out of 8 in the Structure of Wild-Type Fetal Human Hemoglobin Hbf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Wild-Type Fetal Human Hemoglobin Hbf within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe201

b:18.5
occ:1.00
FE E:HEM201 0.0 18.5 1.0
C E:CMO202 1.8 20.1 1.0
NC E:HEM201 2.0 19.3 1.0
NA E:HEM201 2.0 17.4 1.0
NE2 E:HIS87 2.1 18.9 1.0
ND E:HEM201 2.1 19.2 1.0
NB E:HEM201 2.1 17.3 1.0
CE1 E:HIS87 3.0 25.9 1.0
O E:CMO202 3.0 24.1 1.0
C1A E:HEM201 3.0 19.4 1.0
C4C E:HEM201 3.0 21.6 1.0
C1C E:HEM201 3.1 17.8 1.0
C4A E:HEM201 3.1 22.2 1.0
CD2 E:HIS87 3.1 21.0 1.0
C1B E:HEM201 3.1 19.4 1.0
C4D E:HEM201 3.1 22.9 1.0
C1D E:HEM201 3.1 17.2 1.0
C4B E:HEM201 3.1 14.9 1.0
CHA E:HEM201 3.4 22.3 1.0
CHD E:HEM201 3.5 18.2 1.0
CHB E:HEM201 3.5 22.0 1.0
CHC E:HEM201 3.5 16.3 1.0
ND1 E:HIS87 4.1 22.6 1.0
CG E:HIS87 4.2 18.9 1.0
C3C E:HEM201 4.2 16.7 1.0
C2C E:HEM201 4.2 18.6 1.0
C2A E:HEM201 4.3 21.6 1.0
C3A E:HEM201 4.3 22.8 1.0
C2B E:HEM201 4.3 19.4 1.0
C3B E:HEM201 4.3 19.0 1.0
C3D E:HEM201 4.3 22.3 1.0
C2D E:HEM201 4.3 22.7 1.0
NE2 E:HIS58 4.5 23.3 1.0

Iron binding site 8 out of 8 in 4mqj

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Iron binding site 8 out of 8 in the Structure of Wild-Type Fetal Human Hemoglobin Hbf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Wild-Type Fetal Human Hemoglobin Hbf within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe201

b:24.3
occ:1.00
FE F:HEM201 0.0 24.3 1.0
O1 F:OXY202 1.8 38.3 1.0
NC F:HEM201 2.0 20.5 1.0
NB F:HEM201 2.0 24.6 1.0
ND F:HEM201 2.0 23.7 1.0
NA F:HEM201 2.1 24.2 1.0
NE2 F:HIS92 2.1 23.7 1.0
O2 F:OXY202 2.8 27.0 1.0
C4C F:HEM201 3.0 21.4 1.0
C1D F:HEM201 3.1 27.9 1.0
C4B F:HEM201 3.1 20.2 1.0
C4D F:HEM201 3.1 26.9 1.0
C1B F:HEM201 3.1 27.0 1.0
C1C F:HEM201 3.1 19.1 1.0
C1A F:HEM201 3.1 26.4 1.0
C4A F:HEM201 3.1 29.2 1.0
CE1 F:HIS92 3.1 26.8 1.0
CD2 F:HIS92 3.1 25.6 1.0
CHD F:HEM201 3.4 24.3 1.0
CHA F:HEM201 3.4 26.5 1.0
CHB F:HEM201 3.4 29.6 1.0
CHC F:HEM201 3.4 18.7 1.0
ND1 F:HIS92 4.2 30.7 1.0
C3C F:HEM201 4.3 23.4 1.0
C2C F:HEM201 4.3 25.2 1.0
CG F:HIS92 4.3 25.9 1.0
C3B F:HEM201 4.3 25.1 1.0
C2D F:HEM201 4.3 24.7 1.0
C2B F:HEM201 4.3 25.8 1.0
C3D F:HEM201 4.3 26.2 1.0
C2A F:HEM201 4.3 29.9 1.0
C3A F:HEM201 4.3 28.1 1.0
NE2 F:HIS63 4.4 27.7 1.0
CG2 F:VAL67 4.8 24.7 1.0

Reference:

J.Soman, J.S.Olson. Structure of Wild-Type Fetal Human Hemoglobin Hbf To Be Published.
Page generated: Mon Aug 5 07:00:24 2024

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