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Iron in PDB 1x9f: Hemoglobin Dodecamer From Lumbricus Erythrocruorin

Protein crystallography data

The structure of Hemoglobin Dodecamer From Lumbricus Erythrocruorin, PDB code: 1x9f was solved by K.Strand, J.E.Knapp, B.Bhyravbhatla, W.E.Royer Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 105.41 / 2.60
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 139.225, 172.071, 202.886, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 24.6

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin (pdb code 1x9f). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin, PDB code: 1x9f:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 1x9f

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Iron binding site 1 out of 12 in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hemoglobin Dodecamer From Lumbricus Erythrocruorin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe160

b:23.0
occ:1.00
FE A:HEM160 0.0 23.0 1.0
NA A:HEM160 2.0 19.8 1.0
ND A:HEM160 2.0 26.2 1.0
NC A:HEM160 2.0 23.6 1.0
NB A:HEM160 2.0 25.5 1.0
NE2 A:HIS101 2.2 24.8 1.0
C A:CMO1161 2.3 35.4 1.0
C4D A:HEM160 3.1 26.7 1.0
C4B A:HEM160 3.1 25.6 1.0
C4A A:HEM160 3.1 21.5 1.0
C4C A:HEM160 3.1 24.7 1.0
C1A A:HEM160 3.1 23.3 1.0
C1C A:HEM160 3.1 24.8 1.0
C1D A:HEM160 3.1 22.2 1.0
C1B A:HEM160 3.1 21.2 1.0
O A:CMO1161 3.1 35.2 1.0
CE1 A:HIS101 3.2 26.6 1.0
CD2 A:HIS101 3.3 27.8 1.0
CHA A:HEM160 3.4 27.7 1.0
CHC A:HEM160 3.5 27.1 1.0
CHD A:HEM160 3.5 22.0 1.0
CHB A:HEM160 3.5 22.0 1.0
C3B A:HEM160 4.2 27.4 1.0
C3C A:HEM160 4.3 27.3 1.0
ND1 A:HIS101 4.3 20.3 1.0
C2C A:HEM160 4.3 28.0 1.0
C2A A:HEM160 4.3 23.3 1.0
C2D A:HEM160 4.3 26.4 1.0
C2B A:HEM160 4.3 25.6 1.0
C3D A:HEM160 4.3 30.3 1.0
C3A A:HEM160 4.4 26.6 1.0
CG A:HIS101 4.4 27.0 1.0
CG2 A:VAL73 4.8 14.7 1.0

Iron binding site 2 out of 12 in 1x9f

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Iron binding site 2 out of 12 in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hemoglobin Dodecamer From Lumbricus Erythrocruorin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe160

b:24.2
occ:1.00
FE B:HEM160 0.0 24.2 1.0
ND B:HEM160 2.0 18.5 1.0
NB B:HEM160 2.0 14.1 1.0
NC B:HEM160 2.0 16.9 1.0
NA B:HEM160 2.0 19.4 1.0
NE2 B:HIS96 2.1 27.2 1.0
C B:CMO1162 2.2 33.3 1.0
CE1 B:HIS96 2.9 30.4 1.0
C1B B:HEM160 3.1 18.0 1.0
C4D B:HEM160 3.1 18.6 1.0
C1C B:HEM160 3.1 18.5 1.0
C4A B:HEM160 3.1 19.5 1.0
C1D B:HEM160 3.1 19.0 1.0
C4B B:HEM160 3.1 20.0 1.0
C4C B:HEM160 3.1 15.9 1.0
C1A B:HEM160 3.1 19.8 1.0
CD2 B:HIS96 3.1 25.6 1.0
O B:CMO1162 3.3 37.6 1.0
CHD B:HEM160 3.5 16.6 1.0
CHB B:HEM160 3.5 20.0 1.0
CHA B:HEM160 3.5 20.4 1.0
CHC B:HEM160 3.5 17.9 1.0
ND1 B:HIS96 4.1 34.7 1.0
CG B:HIS96 4.2 35.5 1.0
C3B B:HEM160 4.2 20.0 1.0
C3C B:HEM160 4.3 19.9 1.0
C2B B:HEM160 4.3 17.6 1.0
C2C B:HEM160 4.3 15.3 1.0
C2D B:HEM160 4.3 18.0 1.0
C2A B:HEM160 4.3 21.3 1.0
C3D B:HEM160 4.4 17.2 1.0
C3A B:HEM160 4.4 21.8 1.0
CG2 B:VAL68 4.7 20.4 1.0

Iron binding site 3 out of 12 in 1x9f

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Iron binding site 3 out of 12 in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hemoglobin Dodecamer From Lumbricus Erythrocruorin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe160

b:25.7
occ:1.00
FE C:HEM160 0.0 25.7 1.0
NE2 C:HIS102 2.0 25.8 1.0
NC C:HEM160 2.0 24.9 1.0
NA C:HEM160 2.0 26.0 1.0
ND C:HEM160 2.0 29.2 1.0
NB C:HEM160 2.0 28.5 1.0
C C:CMO1163 2.3 30.6 1.0
CE1 C:HIS102 2.9 26.2 1.0
C4C C:HEM160 3.0 29.1 1.0
C4A C:HEM160 3.1 27.1 1.0
C1D C:HEM160 3.1 24.4 1.0
C4D C:HEM160 3.1 26.8 1.0
C1B C:HEM160 3.1 27.3 1.0
CD2 C:HIS102 3.1 23.6 1.0
C1A C:HEM160 3.1 30.2 1.0
C1C C:HEM160 3.1 29.1 1.0
C4B C:HEM160 3.1 27.9 1.0
CHD C:HEM160 3.4 25.9 1.0
CHB C:HEM160 3.4 30.8 1.0
CHA C:HEM160 3.5 29.0 1.0
O C:CMO1163 3.5 37.6 1.0
CHC C:HEM160 3.5 31.0 1.0
ND1 C:HIS102 4.0 27.6 1.0
CG C:HIS102 4.2 25.5 1.0
C3C C:HEM160 4.2 32.1 1.0
C3B C:HEM160 4.3 32.1 1.0
C2C C:HEM160 4.3 28.6 1.0
C2A C:HEM160 4.3 26.9 1.0
C2D C:HEM160 4.3 28.4 1.0
C2B C:HEM160 4.3 32.6 1.0
C3A C:HEM160 4.4 26.6 1.0
C3D C:HEM160 4.4 26.6 1.0
CG1 C:ILE74 5.0 23.7 1.0

Iron binding site 4 out of 12 in 1x9f

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Iron binding site 4 out of 12 in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hemoglobin Dodecamer From Lumbricus Erythrocruorin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe160

b:24.8
occ:1.00
FE D:HEM160 0.0 24.8 1.0
NC D:HEM160 2.0 21.8 1.0
NB D:HEM160 2.0 20.7 1.0
ND D:HEM160 2.0 22.3 1.0
NA D:HEM160 2.0 20.9 1.0
NE2 D:HIS94 2.1 27.2 1.0
C D:CMO1164 2.3 32.2 1.0
CD2 D:HIS94 3.0 32.8 1.0
C4C D:HEM160 3.1 21.2 1.0
C4D D:HEM160 3.1 24.4 1.0
C4B D:HEM160 3.1 21.9 1.0
C1D D:HEM160 3.1 23.3 1.0
C4A D:HEM160 3.1 22.2 1.0
C1C D:HEM160 3.1 25.2 1.0
C1B D:HEM160 3.1 20.1 1.0
C1A D:HEM160 3.1 24.1 1.0
CE1 D:HIS94 3.1 24.0 1.0
O D:CMO1164 3.3 37.1 1.0
CHD D:HEM160 3.4 18.6 1.0
CHB D:HEM160 3.5 20.8 1.0
CHA D:HEM160 3.5 24.2 1.0
CHC D:HEM160 3.5 21.6 1.0
CG D:HIS94 4.2 37.4 1.0
ND1 D:HIS94 4.2 34.3 1.0
C3B D:HEM160 4.2 21.8 1.0
C3C D:HEM160 4.3 24.8 1.0
C2C D:HEM160 4.3 25.4 1.0
C2B D:HEM160 4.3 24.5 1.0
C2D D:HEM160 4.3 21.4 1.0
C2A D:HEM160 4.3 25.9 1.0
C3D D:HEM160 4.4 22.6 1.0
C3A D:HEM160 4.4 21.8 1.0
CG2 D:VAL66 4.6 18.4 1.0
CE1 D:HIS62 4.6 17.2 1.0

Iron binding site 5 out of 12 in 1x9f

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Iron binding site 5 out of 12 in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Hemoglobin Dodecamer From Lumbricus Erythrocruorin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe160

b:22.4
occ:1.00
FE E:HEM160 0.0 22.4 1.0
NA E:HEM160 2.0 22.3 1.0
NB E:HEM160 2.0 25.5 1.0
ND E:HEM160 2.0 23.9 1.0
NC E:HEM160 2.0 23.4 1.0
NE2 E:HIS101 2.2 23.1 1.0
C E:CMO2161 2.2 43.4 1.0
C4B E:HEM160 3.1 25.2 1.0
C4A E:HEM160 3.1 22.5 1.0
C4C E:HEM160 3.1 26.4 1.0
C4D E:HEM160 3.1 26.4 1.0
C1D E:HEM160 3.1 25.6 1.0
C1A E:HEM160 3.1 24.8 1.0
C1C E:HEM160 3.1 21.8 1.0
C1B E:HEM160 3.1 22.8 1.0
CE1 E:HIS101 3.1 25.6 1.0
CD2 E:HIS101 3.2 28.7 1.0
O E:CMO2161 3.3 41.3 1.0
CHD E:HEM160 3.5 23.3 1.0
CHC E:HEM160 3.5 28.1 1.0
CHA E:HEM160 3.5 23.4 1.0
CHB E:HEM160 3.5 22.8 1.0
C3B E:HEM160 4.2 26.8 1.0
ND1 E:HIS101 4.3 23.3 1.0
C3C E:HEM160 4.3 26.4 1.0
C2D E:HEM160 4.3 29.4 1.0
C2A E:HEM160 4.3 26.5 1.0
C2C E:HEM160 4.3 23.1 1.0
CG E:HIS101 4.3 23.8 1.0
C2B E:HEM160 4.3 26.5 1.0
C3A E:HEM160 4.4 26.9 1.0
C3D E:HEM160 4.4 27.2 1.0
CG2 E:VAL73 4.9 13.6 1.0

Iron binding site 6 out of 12 in 1x9f

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Iron binding site 6 out of 12 in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Hemoglobin Dodecamer From Lumbricus Erythrocruorin within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe160

b:24.1
occ:1.00
FE F:HEM160 0.0 24.1 1.0
ND F:HEM160 2.0 28.2 1.0
NB F:HEM160 2.0 24.0 1.0
NC F:HEM160 2.0 24.4 1.0
NA F:HEM160 2.0 23.3 1.0
NE2 F:HIS96 2.1 26.3 1.0
C F:CMO2162 2.4 31.6 1.0
CE1 F:HIS96 3.0 26.7 1.0
C4D F:HEM160 3.1 31.9 1.0
C4B F:HEM160 3.1 26.2 1.0
C1D F:HEM160 3.1 25.4 1.0
C4A F:HEM160 3.1 26.7 1.0
C4C F:HEM160 3.1 26.1 1.0
C1B F:HEM160 3.1 26.9 1.0
C1C F:HEM160 3.1 26.5 1.0
C1A F:HEM160 3.1 24.4 1.0
CD2 F:HIS96 3.1 28.4 1.0
O F:CMO2162 3.1 36.4 1.0
CHD F:HEM160 3.4 29.8 1.0
CHA F:HEM160 3.5 27.2 1.0
CHB F:HEM160 3.5 27.0 1.0
CHC F:HEM160 3.5 27.8 1.0
ND1 F:HIS96 4.1 33.1 1.0
CG F:HIS96 4.2 32.0 1.0
C3B F:HEM160 4.2 26.5 1.0
C3C F:HEM160 4.3 26.8 1.0
C2D F:HEM160 4.3 29.7 1.0
C2B F:HEM160 4.3 25.6 1.0
C2C F:HEM160 4.3 28.6 1.0
C2A F:HEM160 4.3 25.7 1.0
C3D F:HEM160 4.3 27.7 1.0
C3A F:HEM160 4.4 27.9 1.0
CG2 F:VAL68 4.8 25.1 1.0

Iron binding site 7 out of 12 in 1x9f

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Iron binding site 7 out of 12 in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Hemoglobin Dodecamer From Lumbricus Erythrocruorin within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe160

b:25.7
occ:1.00
FE G:HEM160 0.0 25.7 1.0
NE2 G:HIS102 2.0 25.6 1.0
ND G:HEM160 2.0 26.0 1.0
NB G:HEM160 2.0 20.1 1.0
NA G:HEM160 2.0 23.5 1.0
NC G:HEM160 2.0 24.6 1.0
C G:CMO2163 2.4 33.9 1.0
CE1 G:HIS102 2.9 27.6 1.0
CD2 G:HIS102 3.0 32.9 1.0
C4D G:HEM160 3.1 27.0 1.0
C4B G:HEM160 3.1 27.1 1.0
C1D G:HEM160 3.1 24.9 1.0
C4A G:HEM160 3.1 21.8 1.0
C4C G:HEM160 3.1 25.2 1.0
C1B G:HEM160 3.1 22.9 1.0
C1A G:HEM160 3.1 25.1 1.0
C1C G:HEM160 3.1 24.0 1.0
CHA G:HEM160 3.4 24.5 1.0
CHD G:HEM160 3.4 27.1 1.0
CHB G:HEM160 3.5 23.5 1.0
CHC G:HEM160 3.5 25.5 1.0
O G:CMO2163 3.6 38.5 1.0
ND1 G:HIS102 4.0 29.9 1.0
CG G:HIS102 4.1 31.8 1.0
C3B G:HEM160 4.2 27.1 1.0
C3C G:HEM160 4.3 26.1 1.0
C2D G:HEM160 4.3 26.3 1.0
C2B G:HEM160 4.3 26.8 1.0
C2C G:HEM160 4.3 25.6 1.0
C2A G:HEM160 4.3 27.5 1.0
C3D G:HEM160 4.3 25.8 1.0
C3A G:HEM160 4.4 22.8 1.0
CG1 G:ILE74 5.0 28.6 1.0

Iron binding site 8 out of 12 in 1x9f

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Iron binding site 8 out of 12 in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Hemoglobin Dodecamer From Lumbricus Erythrocruorin within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe160

b:21.9
occ:1.00
FE H:HEM160 0.0 21.9 1.0
NC H:HEM160 2.0 18.6 1.0
ND H:HEM160 2.0 22.6 1.0
NA H:HEM160 2.0 18.6 1.0
NB H:HEM160 2.0 19.6 1.0
NE2 H:HIS94 2.1 23.0 1.0
C H:CMO2164 2.2 21.7 1.0
CE1 H:HIS94 3.0 26.5 1.0
CD2 H:HIS94 3.0 26.1 1.0
C4A H:HEM160 3.0 15.8 1.0
C4C H:HEM160 3.1 19.5 1.0
C4D H:HEM160 3.1 21.5 1.0
C4B H:HEM160 3.1 21.2 1.0
C1D H:HEM160 3.1 20.7 1.0
C1B H:HEM160 3.1 17.3 1.0
C1C H:HEM160 3.1 16.9 1.0
C1A H:HEM160 3.1 20.9 1.0
O H:CMO2164 3.3 27.4 1.0
CHD H:HEM160 3.4 20.2 1.0
CHB H:HEM160 3.4 21.6 1.0
CHA H:HEM160 3.5 19.2 1.0
CHC H:HEM160 3.5 18.4 1.0
ND1 H:HIS94 4.1 30.4 1.0
CG H:HIS94 4.2 30.0 1.0
C3B H:HEM160 4.2 23.0 1.0
C3C H:HEM160 4.3 24.7 1.0
C2C H:HEM160 4.3 21.1 1.0
C2D H:HEM160 4.3 23.7 1.0
C2B H:HEM160 4.3 21.4 1.0
C2A H:HEM160 4.3 20.3 1.0
C3D H:HEM160 4.3 24.1 1.0
C3A H:HEM160 4.4 19.9 1.0
CE1 H:HIS62 4.6 15.4 1.0
CG2 H:VAL66 4.8 20.4 1.0

Iron binding site 9 out of 12 in 1x9f

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Iron binding site 9 out of 12 in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Hemoglobin Dodecamer From Lumbricus Erythrocruorin within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Fe160

b:25.0
occ:1.00
FE I:HEM160 0.0 25.0 1.0
NC I:HEM160 2.0 24.3 1.0
ND I:HEM160 2.0 29.0 1.0
NB I:HEM160 2.0 29.4 1.0
NA I:HEM160 2.0 27.3 1.0
NE2 I:HIS101 2.2 17.7 1.0
C I:CMO3161 2.3 41.5 1.0
C4D I:HEM160 3.1 26.4 1.0
C4C I:HEM160 3.1 25.9 1.0
C4B I:HEM160 3.1 27.7 1.0
C4A I:HEM160 3.1 22.6 1.0
C1A I:HEM160 3.1 28.4 1.0
CE1 I:HIS101 3.1 29.4 1.0
C1C I:HEM160 3.1 26.3 1.0
C1B I:HEM160 3.1 22.4 1.0
C1D I:HEM160 3.1 22.8 1.0
O I:CMO3161 3.2 42.2 1.0
CD2 I:HIS101 3.2 26.5 1.0
CHA I:HEM160 3.4 28.0 1.0
CHD I:HEM160 3.5 23.3 1.0
CHC I:HEM160 3.5 25.1 1.0
CHB I:HEM160 3.5 23.7 1.0
ND1 I:HIS101 4.2 23.7 1.0
C3B I:HEM160 4.2 29.6 1.0
C3C I:HEM160 4.3 30.2 1.0
C2C I:HEM160 4.3 29.3 1.0
CG I:HIS101 4.3 26.8 1.0
C2A I:HEM160 4.3 27.4 1.0
C2B I:HEM160 4.3 26.5 1.0
C2D I:HEM160 4.3 26.7 1.0
C3D I:HEM160 4.4 26.8 1.0
C3A I:HEM160 4.4 26.7 1.0
CG2 I:VAL73 4.8 13.1 1.0
CE1 I:HIS69 5.0 14.8 1.0

Iron binding site 10 out of 12 in 1x9f

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Iron binding site 10 out of 12 in the Hemoglobin Dodecamer From Lumbricus Erythrocruorin


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Hemoglobin Dodecamer From Lumbricus Erythrocruorin within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Fe160

b:35.0
occ:1.00
FE J:HEM160 0.0 35.0 1.0
NC J:HEM160 2.0 36.2 1.0
NE2 J:HIS96 2.0 31.2 1.0
ND J:HEM160 2.0 36.4 1.0
NA J:HEM160 2.0 37.7 1.0
NB J:HEM160 2.0 36.7 1.0
C J:CMO3162 2.4 36.1 1.0
CD2 J:HIS96 3.0 42.6 1.0
CE1 J:HIS96 3.0 36.8 1.0
C4A J:HEM160 3.1 36.8 1.0
C4C J:HEM160 3.1 35.8 1.0
C1D J:HEM160 3.1 39.5 1.0
C4D J:HEM160 3.1 38.8 1.0
C1C J:HEM160 3.1 38.1 1.0
C1B J:HEM160 3.1 37.2 1.0
C1A J:HEM160 3.1 39.3 1.0
C4B J:HEM160 3.1 34.1 1.0
O J:CMO3162 3.4 38.7 1.0
CHD J:HEM160 3.4 37.2 1.0
CHB J:HEM160 3.4 37.8 1.0
CHA J:HEM160 3.5 40.9 1.0
CHC J:HEM160 3.5 35.1 1.0
ND1 J:HIS96 4.1 42.0 1.0
CG J:HIS96 4.1 42.0 1.0
C3C J:HEM160 4.3 37.3 1.0
C3B J:HEM160 4.3 36.3 1.0
C2C J:HEM160 4.3 40.6 1.0
C2D J:HEM160 4.3 38.3 1.0
C2A J:HEM160 4.3 35.9 1.0
C2B J:HEM160 4.3 36.3 1.0
C3A J:HEM160 4.4 36.8 1.0
C3D J:HEM160 4.4 39.0 1.0
CG2 J:VAL68 4.7 25.6 1.0

Reference:

K.Strand, J.E.Knapp, B.Bhyravbhatla, W.E.Royer Jr.. Crystal Structure of the Hemoglobin Dodecamer From Lumbricus Erythrocruorin: Allosteric Core of Giant Annelid Respiratory Complexes J.Mol.Biol. V. 344 119 2004.
ISSN: ISSN 0022-2836
PubMed: 15504406
DOI: 10.1016/J.JMB.2004.08.094
Page generated: Sun Dec 13 14:35:42 2020

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