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Iron in PDB 5ker: Deer Mouse Recombinant Hemoglobin From High Altitude Species

Protein crystallography data

The structure of Deer Mouse Recombinant Hemoglobin From High Altitude Species, PDB code: 5ker was solved by N.Inoguchi, C.Natarajan, J.F.Storz, H.Moriyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.56 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.182, 229.618, 53.277, 90.00, 119.12, 90.00
R / Rfree (%) 19.3 / 20.2

Iron Binding Sites:

The binding sites of Iron atom in the Deer Mouse Recombinant Hemoglobin From High Altitude Species (pdb code 5ker). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Deer Mouse Recombinant Hemoglobin From High Altitude Species, PDB code: 5ker:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 5ker

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Iron binding site 1 out of 8 in the Deer Mouse Recombinant Hemoglobin From High Altitude Species


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Deer Mouse Recombinant Hemoglobin From High Altitude Species within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:24.3
occ:1.00
FE C:HEM201 0.0 24.3 1.0
NB C:HEM201 2.0 24.1 1.0
NA C:HEM201 2.0 28.8 1.0
NC C:HEM201 2.1 27.8 1.0
ND C:HEM201 2.1 28.8 1.0
NE2 C:HIS87 2.5 23.1 1.0
O C:HOH315 2.6 22.8 1.0
C4A C:HEM201 3.0 27.7 1.0
C1B C:HEM201 3.0 25.1 1.0
C4C C:HEM201 3.1 24.1 1.0
C4B C:HEM201 3.1 23.1 1.0
C1A C:HEM201 3.1 27.2 1.0
C1D C:HEM201 3.1 25.0 1.0
C1C C:HEM201 3.1 23.4 1.0
C4D C:HEM201 3.1 28.1 1.0
CD2 C:HIS87 3.2 24.1 1.0
CHB C:HEM201 3.4 26.1 1.0
CHD C:HEM201 3.4 25.2 1.0
CHC C:HEM201 3.4 24.3 1.0
CHA C:HEM201 3.5 27.3 1.0
CE1 C:HIS87 3.7 27.8 1.0
NE2 C:HIS58 4.2 30.1 1.0
C3A C:HEM201 4.2 27.4 1.0
C2B C:HEM201 4.3 23.8 1.0
C2A C:HEM201 4.3 29.4 1.0
C3B C:HEM201 4.3 29.0 1.0
C3C C:HEM201 4.3 23.1 1.0
C2C C:HEM201 4.3 23.4 1.0
C2D C:HEM201 4.3 25.1 1.0
C3D C:HEM201 4.3 25.8 1.0
CG C:HIS87 4.5 26.1 1.0
ND1 C:HIS87 4.6 25.8 1.0
CE1 C:HIS58 4.7 30.5 1.0
CG2 C:VAL62 4.9 22.8 1.0

Iron binding site 2 out of 8 in 5ker

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Iron binding site 2 out of 8 in the Deer Mouse Recombinant Hemoglobin From High Altitude Species


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Deer Mouse Recombinant Hemoglobin From High Altitude Species within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:25.8
occ:1.00
FE D:HEM201 0.0 25.8 1.0
NB D:HEM201 2.0 27.5 1.0
NC D:HEM201 2.1 28.7 1.0
NA D:HEM201 2.1 37.7 1.0
ND D:HEM201 2.1 35.2 1.0
NE2 D:HIS92 2.5 22.8 1.0
O D:HOH324 2.7 25.9 1.0
C1B D:HEM201 3.0 25.9 1.0
C4B D:HEM201 3.0 25.9 1.0
C4A D:HEM201 3.0 30.9 1.0
C1C D:HEM201 3.1 19.4 1.0
C4C D:HEM201 3.1 29.5 1.0
C1D D:HEM201 3.1 25.5 1.0
C4D D:HEM201 3.1 28.2 1.0
C1A D:HEM201 3.1 32.6 1.0
CHB D:HEM201 3.4 28.6 1.0
CHC D:HEM201 3.4 19.1 1.0
CE1 D:HIS92 3.4 30.2 1.0
CD2 D:HIS92 3.4 28.7 1.0
CHA D:HEM201 3.5 30.8 1.0
CHD D:HEM201 3.5 21.5 1.0
NE2 D:HIS63 4.1 29.6 1.0
C2B D:HEM201 4.2 21.8 1.0
C3B D:HEM201 4.2 21.6 1.0
C3A D:HEM201 4.3 24.6 1.0
C2C D:HEM201 4.3 24.2 1.0
C3C D:HEM201 4.3 25.9 1.0
C2A D:HEM201 4.3 28.1 1.0
C2D D:HEM201 4.3 29.8 1.0
C3D D:HEM201 4.3 31.9 1.0
CG2 D:VAL67 4.4 18.9 1.0
ND1 D:HIS92 4.6 32.9 1.0
CG D:HIS92 4.6 30.1 1.0
CE1 D:HIS63 4.8 27.7 1.0

Iron binding site 3 out of 8 in 5ker

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Iron binding site 3 out of 8 in the Deer Mouse Recombinant Hemoglobin From High Altitude Species


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Deer Mouse Recombinant Hemoglobin From High Altitude Species within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe201

b:23.8
occ:1.00
FE E:HEM201 0.0 23.8 1.0
NB E:HEM201 2.0 20.9 1.0
NC E:HEM201 2.0 20.9 1.0
NA E:HEM201 2.1 25.3 1.0
ND E:HEM201 2.1 23.1 1.0
NE2 E:HIS87 2.4 24.1 1.0
O E:HOH324 2.6 22.5 1.0
C4B E:HEM201 3.0 22.6 1.0
C1C E:HEM201 3.0 19.4 1.0
C1B E:HEM201 3.0 24.4 1.0
CD2 E:HIS87 3.1 21.1 1.0
C4C E:HEM201 3.1 19.1 1.0
C1A E:HEM201 3.1 26.8 1.0
C4A E:HEM201 3.1 21.9 1.0
C4D E:HEM201 3.1 19.4 1.0
C1D E:HEM201 3.1 21.6 1.0
CHC E:HEM201 3.3 17.2 1.0
CHB E:HEM201 3.4 24.6 1.0
CHA E:HEM201 3.5 21.3 1.0
CHD E:HEM201 3.5 22.6 1.0
CE1 E:HIS87 3.6 25.4 1.0
C3B E:HEM201 4.2 22.9 1.0
C2B E:HEM201 4.2 20.4 1.0
NE2 E:HIS58 4.2 24.0 1.0
C2C E:HEM201 4.2 19.9 1.0
C3C E:HEM201 4.3 22.7 1.0
C2A E:HEM201 4.3 27.3 1.0
C3A E:HEM201 4.3 21.7 1.0
C3D E:HEM201 4.3 25.1 1.0
CG E:HIS87 4.3 23.1 1.0
C2D E:HEM201 4.3 21.9 1.0
CG2 E:VAL62 4.5 21.6 1.0
ND1 E:HIS87 4.6 26.3 1.0

Iron binding site 4 out of 8 in 5ker

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Iron binding site 4 out of 8 in the Deer Mouse Recombinant Hemoglobin From High Altitude Species


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Deer Mouse Recombinant Hemoglobin From High Altitude Species within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe201

b:25.5
occ:1.00
FE F:HEM201 0.0 25.5 1.0
NA F:HEM201 2.0 24.6 1.0
NB F:HEM201 2.0 20.0 1.0
NC F:HEM201 2.0 22.5 1.0
ND F:HEM201 2.1 26.8 1.0
NE2 F:HIS92 2.5 18.3 1.0
O F:HOH337 2.6 23.2 1.0
C4A F:HEM201 3.0 22.5 1.0
C1B F:HEM201 3.0 24.8 1.0
C1A F:HEM201 3.0 22.8 1.0
C1C F:HEM201 3.1 21.2 1.0
C4B F:HEM201 3.1 20.8 1.0
C4C F:HEM201 3.1 23.0 1.0
C1D F:HEM201 3.1 24.7 1.0
C4D F:HEM201 3.1 27.9 1.0
CE1 F:HIS92 3.4 22.1 1.0
CHB F:HEM201 3.4 21.6 1.0
CHC F:HEM201 3.4 21.3 1.0
CHA F:HEM201 3.5 22.4 1.0
CD2 F:HIS92 3.5 20.8 1.0
CHD F:HEM201 3.5 25.9 1.0
C3A F:HEM201 4.2 21.2 1.0
C2A F:HEM201 4.3 24.0 1.0
CE1 F:HIS63 4.3 26.2 1.0
C2B F:HEM201 4.3 26.3 1.0
C2C F:HEM201 4.3 20.9 1.0
C3B F:HEM201 4.3 22.6 1.0
C3C F:HEM201 4.3 23.1 1.0
C2D F:HEM201 4.3 28.6 1.0
C3D F:HEM201 4.3 30.4 1.0
ND1 F:HIS92 4.5 25.0 1.0
CG2 F:VAL67 4.5 17.6 1.0
CG F:HIS92 4.6 20.9 1.0

Iron binding site 5 out of 8 in 5ker

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Iron binding site 5 out of 8 in the Deer Mouse Recombinant Hemoglobin From High Altitude Species


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Deer Mouse Recombinant Hemoglobin From High Altitude Species within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe201

b:21.6
occ:1.00
FE G:HEM201 0.0 21.6 1.0
NA G:HEM201 2.0 21.2 1.0
ND G:HEM201 2.0 25.4 1.0
NC G:HEM201 2.0 23.2 1.0
NB G:HEM201 2.0 25.0 1.0
NE2 G:HIS87 2.4 25.8 1.0
O G:HOH353 2.6 22.1 1.0
C1A G:HEM201 3.0 27.1 1.0
C1C G:HEM201 3.0 21.2 1.0
C4B G:HEM201 3.0 22.0 1.0
C4A G:HEM201 3.1 24.2 1.0
C4D G:HEM201 3.1 22.3 1.0
C4C G:HEM201 3.1 22.9 1.0
C1D G:HEM201 3.1 27.3 1.0
C1B G:HEM201 3.1 20.9 1.0
CD2 G:HIS87 3.3 23.2 1.0
CHC G:HEM201 3.4 19.2 1.0
CHA G:HEM201 3.4 23.3 1.0
CE1 G:HIS87 3.4 26.9 1.0
CHB G:HEM201 3.4 26.0 1.0
CHD G:HEM201 3.5 20.2 1.0
C2A G:HEM201 4.3 26.8 1.0
C3A G:HEM201 4.3 23.4 1.0
CE1 G:HIS58 4.3 26.2 1.0
C2C G:HEM201 4.3 23.9 1.0
C3B G:HEM201 4.3 20.6 1.0
C3D G:HEM201 4.3 23.3 1.0
C3C G:HEM201 4.3 21.6 1.0
C2D G:HEM201 4.3 24.8 1.0
C2B G:HEM201 4.3 25.1 1.0
CG G:HIS87 4.5 20.5 1.0
ND1 G:HIS87 4.5 22.7 1.0
CG2 G:VAL62 4.8 20.7 1.0

Iron binding site 6 out of 8 in 5ker

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Iron binding site 6 out of 8 in the Deer Mouse Recombinant Hemoglobin From High Altitude Species


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Deer Mouse Recombinant Hemoglobin From High Altitude Species within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe201

b:26.1
occ:1.00
FE H:HEM201 0.0 26.1 1.0
ND H:HEM201 2.0 27.4 1.0
NA H:HEM201 2.0 22.1 1.0
NC H:HEM201 2.1 20.7 1.0
NB H:HEM201 2.1 24.0 1.0
NE2 H:HIS92 2.6 27.9 1.0
C4D H:HEM201 3.0 26.8 1.0
C1A H:HEM201 3.0 24.9 1.0
C1D H:HEM201 3.1 22.0 1.0
C1C H:HEM201 3.1 29.0 1.0
C4B H:HEM201 3.1 26.8 1.0
C4A H:HEM201 3.1 30.0 1.0
C4C H:HEM201 3.1 22.9 1.0
C1B H:HEM201 3.1 27.2 1.0
CHA H:HEM201 3.4 24.7 1.0
CHC H:HEM201 3.4 25.6 1.0
CHD H:HEM201 3.4 26.5 1.0
CE1 H:HIS92 3.5 28.5 1.0
CHB H:HEM201 3.5 30.0 1.0
CD2 H:HIS92 3.6 30.7 1.0
CG2 H:VAL67 4.1 24.3 1.0
NE2 H:HIS63 4.2 27.4 1.0
C3D H:HEM201 4.2 23.9 1.0
C2D H:HEM201 4.3 29.3 1.0
C2A H:HEM201 4.3 31.2 1.0
C3A H:HEM201 4.3 29.2 1.0
C2C H:HEM201 4.3 29.9 1.0
C3C H:HEM201 4.3 25.1 1.0
C3B H:HEM201 4.3 31.7 1.0
C2B H:HEM201 4.3 27.9 1.0
ND1 H:HIS92 4.6 33.5 1.0
CG H:HIS92 4.7 34.7 1.0
CD2 H:HIS63 4.9 20.6 1.0

Iron binding site 7 out of 8 in 5ker

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Iron binding site 7 out of 8 in the Deer Mouse Recombinant Hemoglobin From High Altitude Species


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Deer Mouse Recombinant Hemoglobin From High Altitude Species within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:21.5
occ:1.00
FE A:HEM201 0.0 21.5 1.0
NC A:HEM201 2.0 23.2 1.0
ND A:HEM201 2.0 28.8 1.0
NB A:HEM201 2.1 19.4 1.0
NA A:HEM201 2.1 22.4 1.0
NE2 A:HIS87 2.5 18.9 1.0
O A:HOH331 2.6 22.6 1.0
C4C A:HEM201 3.0 21.7 1.0
C1D A:HEM201 3.0 26.4 1.0
C1C A:HEM201 3.0 20.0 1.0
C4A A:HEM201 3.1 22.4 1.0
C1B A:HEM201 3.1 18.0 1.0
C4B A:HEM201 3.1 22.7 1.0
CD2 A:HIS87 3.1 14.7 1.0
C4D A:HEM201 3.1 26.4 1.0
C1A A:HEM201 3.1 21.8 1.0
CHD A:HEM201 3.4 26.9 1.0
CHB A:HEM201 3.4 19.1 1.0
CHC A:HEM201 3.4 17.5 1.0
CHA A:HEM201 3.5 25.9 1.0
CE1 A:HIS87 3.6 22.8 1.0
NE2 A:HIS58 4.2 24.0 1.0
C3C A:HEM201 4.2 23.3 1.0
C2C A:HEM201 4.2 23.8 1.0
C2D A:HEM201 4.3 25.6 1.0
C3A A:HEM201 4.3 18.3 1.0
C3D A:HEM201 4.3 26.5 1.0
C2B A:HEM201 4.3 23.8 1.0
C2A A:HEM201 4.3 22.7 1.0
C3B A:HEM201 4.3 23.9 1.0
CG A:HIS87 4.3 18.8 1.0
ND1 A:HIS87 4.6 22.5 1.0
CG2 A:VAL62 4.9 14.5 1.0
CE1 A:HIS58 4.9 30.8 1.0

Iron binding site 8 out of 8 in 5ker

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Iron binding site 8 out of 8 in the Deer Mouse Recombinant Hemoglobin From High Altitude Species


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Deer Mouse Recombinant Hemoglobin From High Altitude Species within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:28.5
occ:1.00
FE B:HEM201 0.0 28.5 1.0
NC B:HEM201 2.0 25.7 1.0
ND B:HEM201 2.0 32.7 1.0
NB B:HEM201 2.1 29.2 1.0
NA B:HEM201 2.1 36.1 1.0
NE2 B:HIS92 2.6 27.4 1.0
O B:HOH336 2.6 25.7 1.0
C1C B:HEM201 3.0 33.2 1.0
C4B B:HEM201 3.0 32.4 1.0
C4C B:HEM201 3.0 26.8 1.0
C4D B:HEM201 3.1 34.4 1.0
C1D B:HEM201 3.1 30.9 1.0
C1A B:HEM201 3.1 35.2 1.0
C1B B:HEM201 3.1 32.9 1.0
C4A B:HEM201 3.1 30.4 1.0
CHC B:HEM201 3.4 29.5 1.0
CHA B:HEM201 3.4 39.1 1.0
CHD B:HEM201 3.4 29.7 1.0
CD2 B:HIS92 3.4 37.7 1.0
CHB B:HEM201 3.5 35.1 1.0
CE1 B:HIS92 3.6 32.2 1.0
NE2 B:HIS63 4.0 36.8 1.0
C2C B:HEM201 4.2 33.6 1.0
C3C B:HEM201 4.3 28.0 1.0
C2A B:HEM201 4.3 38.7 1.0
C2D B:HEM201 4.3 29.9 1.0
C3D B:HEM201 4.3 31.7 1.0
C3B B:HEM201 4.3 30.2 1.0
C3A B:HEM201 4.3 34.7 1.0
C2B B:HEM201 4.3 32.3 1.0
CG2 B:VAL67 4.4 29.1 1.0
CG B:HIS92 4.6 39.2 1.0
ND1 B:HIS92 4.7 33.2 1.0
CE1 B:HIS63 4.9 34.4 1.0
CD2 B:HIS63 5.0 32.5 1.0

Reference:

N.Inoguchi, N.Mizuno, S.Baba, T.Kumasaka, C.Natarajan, J.F.Storz, H.Moriyama. Alteration of the Alpha 1 Beta 2/ Alpha 2 Beta 1 Subunit Interface Contributes to the Increased Hemoglobin-Oxygen Affinity of High-Altitude Deer Mice. Plos One V. 12 74921 2017.
ISSN: ESSN 1932-6203
PubMed: 28362841
DOI: 10.1371/JOURNAL.PONE.0174921
Page generated: Tue Aug 6 03:16:32 2024

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