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Iron in PDB 3a59: Structure of Hemoglobin From Flightless Bird (Struthio Camelus)

Protein crystallography data

The structure of Structure of Hemoglobin From Flightless Bird (Struthio Camelus), PDB code: 3a59 was solved by S.M.Jaimohan, M.D.Naresh, A.B.Mandal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.75 / 3.41
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 82.051, 82.051, 214.928, 90.00, 90.00, 90.00
R / Rfree (%) 26.5 / 35.4

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Hemoglobin From Flightless Bird (Struthio Camelus) (pdb code 3a59). 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 Hemoglobin From Flightless Bird (Struthio Camelus), PDB code: 3a59:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 3a59

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Iron binding site 1 out of 8 in the Structure of Hemoglobin From Flightless Bird (Struthio Camelus)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Hemoglobin From Flightless Bird (Struthio Camelus) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe150

b:36.1
occ:1.00
FE A:HEM150 0.0 36.1 1.0
NA A:HEM150 2.0 36.5 1.0
ND A:HEM150 2.0 36.0 1.0
NC A:HEM150 2.1 36.3 1.0
NB A:HEM150 2.1 36.8 1.0
NE2 A:HIS87 2.2 59.0 1.0
CE1 A:HIS87 2.8 58.9 1.0
C4A A:HEM150 3.0 36.6 1.0
C1A A:HEM150 3.0 36.8 1.0
C1D A:HEM150 3.0 35.8 1.0
C4D A:HEM150 3.0 35.8 1.0
C4C A:HEM150 3.1 35.8 1.0
C1B A:HEM150 3.1 37.0 1.0
C1C A:HEM150 3.2 36.3 1.0
C4B A:HEM150 3.2 36.5 1.0
CHA A:HEM150 3.4 36.2 1.0
CHD A:HEM150 3.4 35.7 1.0
CHB A:HEM150 3.4 36.9 1.0
CD2 A:HIS87 3.5 58.9 1.0
CHC A:HEM150 3.6 36.3 1.0
ND1 A:HIS87 4.1 59.0 1.0
CE1 A:HIS58 4.1 49.8 1.0
NE2 A:HIS58 4.1 50.0 1.0
C3A A:HEM150 4.2 36.9 1.0
C2A A:HEM150 4.2 37.1 1.0
C2D A:HEM150 4.2 35.4 1.0
C3D A:HEM150 4.2 35.4 1.0
C3C A:HEM150 4.3 36.0 1.0
C2B A:HEM150 4.3 36.6 1.0
C2C A:HEM150 4.4 36.0 1.0
C3B A:HEM150 4.4 36.8 1.0
CG A:HIS87 4.4 59.0 1.0

Iron binding site 2 out of 8 in 3a59

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Iron binding site 2 out of 8 in the Structure of Hemoglobin From Flightless Bird (Struthio Camelus)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Hemoglobin From Flightless Bird (Struthio Camelus) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe150

b:45.7
occ:1.00
FE B:HEM150 0.0 45.7 1.0
NA B:HEM150 2.0 46.2 1.0
NC B:HEM150 2.1 45.6 1.0
ND B:HEM150 2.1 45.6 1.0
NB B:HEM150 2.1 46.2 1.0
NE2 B:HIS92 2.2 53.7 1.0
CE1 B:HIS92 2.9 53.8 1.0
C1A B:HEM150 3.1 46.1 1.0
C4D B:HEM150 3.1 45.4 1.0
C4A B:HEM150 3.1 46.5 1.0
C1D B:HEM150 3.1 45.3 1.0
C4B B:HEM150 3.1 46.2 1.0
C4C B:HEM150 3.1 45.3 1.0
C1B B:HEM150 3.1 46.3 1.0
C1C B:HEM150 3.1 45.5 1.0
CD2 B:HIS92 3.4 54.0 1.0
CHA B:HEM150 3.4 45.6 1.0
CHD B:HEM150 3.4 45.2 1.0
CHC B:HEM150 3.4 46.1 1.0
CHB B:HEM150 3.4 46.3 1.0
ND1 B:HIS92 4.2 54.1 1.0
C2B B:HEM150 4.3 46.2 1.0
C3B B:HEM150 4.3 45.9 1.0
C3D B:HEM150 4.3 45.1 1.0
C2A B:HEM150 4.3 46.4 1.0
C3A B:HEM150 4.3 46.6 1.0
C2D B:HEM150 4.3 44.9 1.0
C3C B:HEM150 4.3 45.2 1.0
C2C B:HEM150 4.3 45.2 1.0
CG B:HIS92 4.4 54.3 1.0
NE2 B:HIS63 4.4 44.5 1.0

Iron binding site 3 out of 8 in 3a59

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Iron binding site 3 out of 8 in the Structure of Hemoglobin From Flightless Bird (Struthio Camelus)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Hemoglobin From Flightless Bird (Struthio Camelus) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe150

b:39.1
occ:1.00
FE C:HEM150 0.0 39.1 1.0
NE2 C:HIS87 1.9 51.1 1.0
NA C:HEM150 2.1 39.4 1.0
NC C:HEM150 2.1 39.3 1.0
NB C:HEM150 2.1 39.1 1.0
ND C:HEM150 2.1 39.2 1.0
CE1 C:HIS87 2.5 51.2 1.0
C1A C:HEM150 3.0 39.6 1.0
C4A C:HEM150 3.0 39.3 1.0
C1C C:HEM150 3.1 39.5 1.0
C4D C:HEM150 3.1 39.2 1.0
C4B C:HEM150 3.1 39.2 1.0
C4C C:HEM150 3.1 39.2 1.0
C1B C:HEM150 3.1 39.1 1.0
C1D C:HEM150 3.1 39.1 1.0
CD2 C:HIS87 3.2 51.1 1.0
CHA C:HEM150 3.4 39.5 1.0
CHC C:HEM150 3.4 39.4 1.0
CHB C:HEM150 3.5 39.2 1.0
CHD C:HEM150 3.5 39.2 1.0
ND1 C:HIS87 3.8 51.1 1.0
NE2 C:HIS58 4.0 47.1 1.0
CG C:HIS87 4.1 51.0 1.0
C2A C:HEM150 4.1 39.6 1.0
C3A C:HEM150 4.1 39.4 1.0
C2C C:HEM150 4.2 39.7 1.0
C3C C:HEM150 4.3 39.1 1.0
C3B C:HEM150 4.3 39.1 1.0
C2B C:HEM150 4.3 38.9 1.0
C3D C:HEM150 4.3 39.2 1.0
C2D C:HEM150 4.3 38.8 1.0
CE1 C:HIS58 4.6 47.0 1.0
CG2 C:VAL62 4.8 48.3 1.0

Iron binding site 4 out of 8 in 3a59

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Iron binding site 4 out of 8 in the Structure of Hemoglobin From Flightless Bird (Struthio Camelus)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Hemoglobin From Flightless Bird (Struthio Camelus) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe150

b:46.6
occ:1.00
FE D:HEM150 0.0 46.6 1.0
NA D:HEM150 2.0 46.9 1.0
ND D:HEM150 2.1 46.1 1.0
NC D:HEM150 2.1 45.9 1.0
NB D:HEM150 2.1 46.2 1.0
NE2 D:HIS92 2.3 53.7 1.0
C4A D:HEM150 3.0 47.1 1.0
C1A D:HEM150 3.0 47.2 1.0
C1D D:HEM150 3.1 45.8 1.0
C4C D:HEM150 3.1 45.5 1.0
C4D D:HEM150 3.1 45.8 1.0
C1B D:HEM150 3.1 46.1 1.0
C1C D:HEM150 3.1 45.6 1.0
C4B D:HEM150 3.1 45.9 1.0
CD2 D:HIS92 3.2 54.0 1.0
CE1 D:HIS92 3.3 53.8 1.0
CHD D:HEM150 3.4 45.7 1.0
CHA D:HEM150 3.4 46.3 1.0
CHB D:HEM150 3.4 46.4 1.0
CHC D:HEM150 3.5 45.9 1.0
C3A D:HEM150 4.2 47.8 1.0
C2A D:HEM150 4.2 48.0 1.0
C3C D:HEM150 4.3 44.9 1.0
C2D D:HEM150 4.3 45.5 1.0
C3D D:HEM150 4.3 45.3 1.0
C2C D:HEM150 4.3 45.1 1.0
C2B D:HEM150 4.3 45.9 1.0
C3B D:HEM150 4.3 45.8 1.0
NE2 D:HIS63 4.4 49.4 1.0
ND1 D:HIS92 4.4 54.1 1.0
CG D:HIS92 4.4 54.3 1.0
CE1 D:HIS63 4.5 49.7 1.0
CG2 D:VAL67 4.6 51.1 1.0
CG1 D:VAL67 5.0 50.8 1.0

Iron binding site 5 out of 8 in 3a59

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Iron binding site 5 out of 8 in the Structure of Hemoglobin From Flightless Bird (Struthio Camelus)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Hemoglobin From Flightless Bird (Struthio Camelus) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe150

b:37.2
occ:1.00
FE E:HEM150 0.0 37.2 1.0
NE2 E:HIS87 2.0 49.3 1.0
NC E:HEM150 2.0 37.5 1.0
NB E:HEM150 2.0 37.4 1.0
ND E:HEM150 2.1 36.9 1.0
NA E:HEM150 2.1 38.0 1.0
CE1 E:HIS87 2.8 49.4 1.0
C1C E:HEM150 3.0 37.6 1.0
C4B E:HEM150 3.1 37.5 1.0
C4C E:HEM150 3.1 37.4 1.0
CD2 E:HIS87 3.1 49.5 1.0
C1B E:HEM150 3.1 37.7 1.0
C1A E:HEM150 3.1 38.1 1.0
C1D E:HEM150 3.1 36.8 1.0
C4A E:HEM150 3.1 37.9 1.0
C4D E:HEM150 3.1 36.7 1.0
CHC E:HEM150 3.4 37.6 1.0
CHD E:HEM150 3.4 37.2 1.0
CHA E:HEM150 3.4 37.4 1.0
CHB E:HEM150 3.5 37.8 1.0
ND1 E:HIS87 4.0 49.1 1.0
CG E:HIS87 4.1 49.4 1.0
NE2 E:HIS58 4.2 51.0 1.0
C2C E:HEM150 4.3 37.5 1.0
C3C E:HEM150 4.3 37.3 1.0
C3A E:HEM150 4.3 38.1 1.0
C3B E:HEM150 4.3 37.9 1.0
C2A E:HEM150 4.3 38.3 1.0
C2B E:HEM150 4.3 37.9 1.0
C2D E:HEM150 4.3 36.4 1.0
C3D E:HEM150 4.3 36.4 1.0
CG2 E:VAL62 4.8 50.5 1.0
CE1 E:HIS58 4.9 51.1 1.0

Iron binding site 6 out of 8 in 3a59

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Iron binding site 6 out of 8 in the Structure of Hemoglobin From Flightless Bird (Struthio Camelus)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Hemoglobin From Flightless Bird (Struthio Camelus) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe150

b:43.0
occ:1.00
FE F:HEM150 0.0 43.0 1.0
NA F:HEM150 2.0 43.3 1.0
ND F:HEM150 2.1 43.0 1.0
NE2 F:HIS92 2.1 47.9 1.0
NB F:HEM150 2.1 43.1 1.0
NC F:HEM150 2.1 42.6 1.0
CE1 F:HIS92 2.6 48.0 1.0
C1A F:HEM150 3.0 43.5 1.0
C4A F:HEM150 3.0 43.5 1.0
C4D F:HEM150 3.0 43.0 1.0
C1D F:HEM150 3.1 42.9 1.0
C1B F:HEM150 3.1 43.2 1.0
C4C F:HEM150 3.1 42.1 1.0
C4B F:HEM150 3.1 43.1 1.0
C1C F:HEM150 3.2 42.5 1.0
CHA F:HEM150 3.4 43.0 1.0
CD2 F:HIS92 3.4 48.2 1.0
CHB F:HEM150 3.4 43.2 1.0
CHD F:HEM150 3.5 42.6 1.0
CHC F:HEM150 3.5 43.0 1.0
ND1 F:HIS92 3.9 48.1 1.0
C2A F:HEM150 4.2 44.1 1.0
C3A F:HEM150 4.2 44.1 1.0
NE2 F:HIS63 4.2 44.8 1.0
CE1 F:HIS63 4.2 45.2 1.0
C3D F:HEM150 4.2 43.0 1.0
CG F:HIS92 4.3 48.5 1.0
C2D F:HEM150 4.3 42.8 1.0
C2B F:HEM150 4.3 43.4 1.0
C3C F:HEM150 4.3 41.6 1.0
C3B F:HEM150 4.4 43.2 1.0
C2C F:HEM150 4.4 41.8 1.0
CG2 F:VAL67 4.4 44.3 1.0

Iron binding site 7 out of 8 in 3a59

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Iron binding site 7 out of 8 in the Structure of Hemoglobin From Flightless Bird (Struthio Camelus)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Hemoglobin From Flightless Bird (Struthio Camelus) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe150

b:31.7
occ:1.00
FE G:HEM150 0.0 31.7 1.0
NA G:HEM150 2.0 32.4 1.0
NB G:HEM150 2.0 32.5 1.0
NC G:HEM150 2.1 32.1 1.0
ND G:HEM150 2.1 31.9 1.0
NE2 G:HIS87 2.3 55.5 1.0
C4A G:HEM150 2.9 32.7 1.0
C1A G:HEM150 3.0 32.9 1.0
C1B G:HEM150 3.0 32.9 1.0
C4B G:HEM150 3.1 32.6 1.0
C4D G:HEM150 3.1 31.6 1.0
C4C G:HEM150 3.1 31.7 1.0
C1D G:HEM150 3.1 31.4 1.0
CE1 G:HIS87 3.1 55.5 1.0
C1C G:HEM150 3.2 32.2 1.0
CHB G:HEM150 3.3 32.9 1.0
CD2 G:HIS87 3.3 55.6 1.0
CHA G:HEM150 3.4 32.4 1.0
CHD G:HEM150 3.5 31.5 1.0
CHC G:HEM150 3.5 32.5 1.0
CE1 G:HIS58 4.1 48.7 1.0
C3A G:HEM150 4.1 33.2 1.0
NE2 G:HIS58 4.2 48.7 1.0
C2A G:HEM150 4.2 33.4 1.0
C2B G:HEM150 4.3 32.9 1.0
ND1 G:HIS87 4.3 55.6 1.0
C3B G:HEM150 4.3 32.9 1.0
C3C G:HEM150 4.3 32.1 1.0
C3D G:HEM150 4.4 30.8 1.0
C2C G:HEM150 4.4 31.9 1.0
C2D G:HEM150 4.4 30.8 1.0
CG G:HIS87 4.4 55.8 1.0

Iron binding site 8 out of 8 in 3a59

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Iron binding site 8 out of 8 in the Structure of Hemoglobin From Flightless Bird (Struthio Camelus)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Hemoglobin From Flightless Bird (Struthio Camelus) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe150

b:46.4
occ:1.00
FE H:HEM150 0.0 46.4 1.0
NA H:HEM150 2.0 47.0 1.0
NE2 H:HIS92 2.0 52.8 1.0
NB H:HEM150 2.1 46.8 1.0
ND H:HEM150 2.1 46.5 1.0
NC H:HEM150 2.1 46.5 1.0
CE1 H:HIS92 2.7 53.1 1.0
C1A H:HEM150 3.0 47.3 1.0
C4D H:HEM150 3.0 46.5 1.0
C4A H:HEM150 3.0 47.2 1.0
C4B H:HEM150 3.0 46.9 1.0
C1B H:HEM150 3.1 46.8 1.0
C1C H:HEM150 3.1 46.4 1.0
C1D H:HEM150 3.1 46.5 1.0
C4C H:HEM150 3.1 46.2 1.0
CD2 H:HIS92 3.2 52.9 1.0
CHA H:HEM150 3.3 46.9 1.0
CHC H:HEM150 3.4 46.9 1.0
CHB H:HEM150 3.5 46.8 1.0
CHD H:HEM150 3.5 46.4 1.0
ND1 H:HIS92 3.9 53.2 1.0
CG H:HIS92 4.2 53.0 1.0
C2A H:HEM150 4.2 47.9 1.0
C3A H:HEM150 4.2 47.7 1.0
C3B H:HEM150 4.2 46.7 1.0
C2B H:HEM150 4.2 46.9 1.0
C3D H:HEM150 4.3 46.3 1.0
C2D H:HEM150 4.3 46.3 1.0
C2C H:HEM150 4.3 46.1 1.0
C3C H:HEM150 4.3 46.1 1.0
NE2 H:HIS63 4.5 48.5 1.0
CG2 H:VAL67 4.9 48.8 1.0
CE1 H:HIS63 4.9 48.5 1.0

Reference:

S.M.Jaimohan, M.D.Naresh, A.B.Mandal. Structure of Hemoglobin From Flightless Bird (Struthio Camelus) To Be Published.
Page generated: Sun Dec 13 14:59:58 2020

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