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Iron in PDB 2r50: The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1

Protein crystallography data

The structure of The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1, PDB code: 2r50 was solved by B.J.Smagghe, J.A.Hoy, M.S.Hargrove, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 79.06 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.754, 89.734, 157.424, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 25.3

Iron Binding Sites:

The binding sites of Iron atom in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 (pdb code 2r50). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1, PDB code: 2r50:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 2r50

Go back to Iron Binding Sites List in 2r50
Iron binding site 1 out of 4 in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe166

b:32.0
occ:1.00
FE A:HEM166 0.0 32.0 1.0
NB A:HEM166 1.9 30.5 1.0
NA A:HEM166 2.0 35.8 1.0
ND A:HEM166 2.0 35.8 1.0
NC A:HEM166 2.0 33.7 1.0
NE2 A:HIS73 2.2 33.8 1.0
NE2 A:HIS108 2.2 34.6 1.0
C4B A:HEM166 3.0 29.1 1.0
C1B A:HEM166 3.0 31.2 1.0
C1A A:HEM166 3.0 35.6 1.0
C4A A:HEM166 3.0 36.7 1.0
C4D A:HEM166 3.0 34.4 1.0
C1C A:HEM166 3.0 30.4 1.0
CD2 A:HIS108 3.0 34.2 1.0
C1D A:HEM166 3.0 34.8 1.0
C4C A:HEM166 3.1 31.7 1.0
CD2 A:HIS73 3.1 32.5 1.0
CE1 A:HIS73 3.3 34.5 1.0
CE1 A:HIS108 3.3 36.0 1.0
CHA A:HEM166 3.3 32.4 1.0
CHB A:HEM166 3.3 32.6 1.0
CHC A:HEM166 3.3 29.9 1.0
CHD A:HEM166 3.4 32.8 1.0
C2B A:HEM166 4.2 31.9 1.0
C3B A:HEM166 4.2 31.2 1.0
CG A:HIS108 4.2 32.7 1.0
C3A A:HEM166 4.3 34.2 1.0
C2A A:HEM166 4.3 40.4 1.0
C2D A:HEM166 4.3 38.1 1.0
CG A:HIS73 4.3 34.9 1.0
C3D A:HEM166 4.3 38.3 1.0
C2C A:HEM166 4.3 30.5 1.0
C3C A:HEM166 4.3 29.8 1.0
ND1 A:HIS108 4.3 34.5 1.0
ND1 A:HIS73 4.3 36.5 1.0

Iron binding site 2 out of 4 in 2r50

Go back to Iron Binding Sites List in 2r50
Iron binding site 2 out of 4 in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe167

b:33.9
occ:1.00
FE B:HEM167 0.0 33.9 1.0
ND B:HEM167 2.0 32.5 1.0
NC B:HEM167 2.0 31.8 1.0
NB B:HEM167 2.0 31.7 1.0
NA B:HEM167 2.0 39.8 1.0
NE2 B:HIS73 2.2 34.6 1.0
NE2 B:HIS108 2.3 38.1 1.0
C1C B:HEM167 3.0 32.9 1.0
C4D B:HEM167 3.0 32.2 1.0
C4B B:HEM167 3.0 31.4 1.0
CD2 B:HIS73 3.0 36.9 1.0
C1D B:HEM167 3.0 34.2 1.0
C1B B:HEM167 3.0 30.4 1.0
C1A B:HEM167 3.1 36.6 1.0
C4C B:HEM167 3.1 32.0 1.0
C4A B:HEM167 3.1 34.7 1.0
CD2 B:HIS108 3.1 35.2 1.0
CE1 B:HIS73 3.3 36.4 1.0
CHC B:HEM167 3.4 29.2 1.0
CE1 B:HIS108 3.4 35.4 1.0
CHA B:HEM167 3.4 33.9 1.0
CHB B:HEM167 3.4 34.0 1.0
CHD B:HEM167 3.5 32.3 1.0
C3D B:HEM167 4.2 39.7 1.0
C3B B:HEM167 4.2 31.4 1.0
C2D B:HEM167 4.3 35.7 1.0
C2B B:HEM167 4.3 31.6 1.0
CG B:HIS73 4.3 36.9 1.0
C2C B:HEM167 4.3 32.8 1.0
CG B:HIS108 4.3 34.4 1.0
C3C B:HEM167 4.3 30.5 1.0
C3A B:HEM167 4.3 38.2 1.0
C2A B:HEM167 4.3 39.4 1.0
ND1 B:HIS73 4.3 36.1 1.0
ND1 B:HIS108 4.4 32.3 1.0

Iron binding site 3 out of 4 in 2r50

Go back to Iron Binding Sites List in 2r50
Iron binding site 3 out of 4 in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe168

b:34.9
occ:1.00
FE C:HEM168 0.0 34.9 1.0
NB C:HEM168 2.0 33.2 1.0
NC C:HEM168 2.0 34.8 1.0
ND C:HEM168 2.0 35.9 1.0
NA C:HEM168 2.0 39.0 1.0
NE2 C:HIS108 2.1 32.0 1.0
NE2 C:HIS73 2.2 43.4 1.0
CD2 C:HIS108 3.0 33.4 1.0
C4B C:HEM168 3.0 32.0 1.0
C4D C:HEM168 3.0 36.4 1.0
C1C C:HEM168 3.0 29.0 1.0
C1B C:HEM168 3.0 34.4 1.0
C1A C:HEM168 3.0 37.0 1.0
C4A C:HEM168 3.1 35.6 1.0
C1D C:HEM168 3.1 37.0 1.0
C4C C:HEM168 3.1 35.1 1.0
CE1 C:HIS108 3.1 34.1 1.0
CE1 C:HIS73 3.2 42.8 1.0
CD2 C:HIS73 3.2 45.7 1.0
CHC C:HEM168 3.4 28.9 1.0
CHA C:HEM168 3.4 34.2 1.0
CHB C:HEM168 3.4 33.0 1.0
CHD C:HEM168 3.5 34.5 1.0
CG C:HIS108 4.2 32.1 1.0
ND1 C:HIS108 4.2 35.4 1.0
C3D C:HEM168 4.3 40.5 1.0
C3B C:HEM168 4.3 32.6 1.0
C2A C:HEM168 4.3 42.0 1.0
C3A C:HEM168 4.3 38.1 1.0
C2B C:HEM168 4.3 33.6 1.0
C2C C:HEM168 4.3 28.8 1.0
C2D C:HEM168 4.3 37.3 1.0
C3C C:HEM168 4.3 31.8 1.0
ND1 C:HIS73 4.3 42.0 1.0
CG C:HIS73 4.3 43.5 1.0

Iron binding site 4 out of 4 in 2r50

Go back to Iron Binding Sites List in 2r50
Iron binding site 4 out of 4 in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe168

b:37.2
occ:1.00
FE D:HEM168 0.0 37.2 1.0
NB D:HEM168 2.0 35.7 1.0
ND D:HEM168 2.0 39.7 1.0
NC D:HEM168 2.0 37.4 1.0
NA D:HEM168 2.0 39.0 1.0
NE2 D:HIS73 2.1 33.4 1.0
NE2 D:HIS108 2.2 31.1 1.0
CD2 D:HIS108 2.9 34.1 1.0
C4B D:HEM168 3.0 36.0 1.0
C4D D:HEM168 3.0 36.3 1.0
C1C D:HEM168 3.1 34.5 1.0
C1B D:HEM168 3.1 37.4 1.0
C1A D:HEM168 3.1 39.9 1.0
C1D D:HEM168 3.1 41.6 1.0
C4A D:HEM168 3.1 43.4 1.0
C4C D:HEM168 3.1 36.4 1.0
CE1 D:HIS73 3.1 31.8 1.0
CD2 D:HIS73 3.1 33.1 1.0
CE1 D:HIS108 3.3 32.7 1.0
CHC D:HEM168 3.4 33.0 1.0
CHA D:HEM168 3.4 36.4 1.0
CHB D:HEM168 3.5 40.7 1.0
CHD D:HEM168 3.5 38.1 1.0
CG D:HIS108 4.1 36.0 1.0
ND1 D:HIS73 4.2 35.4 1.0
CG D:HIS73 4.2 35.4 1.0
C2D D:HEM168 4.3 41.1 1.0
C3D D:HEM168 4.3 43.0 1.0
C3B D:HEM168 4.3 38.1 1.0
C2B D:HEM168 4.3 35.8 1.0
ND1 D:HIS108 4.3 34.9 1.0
C2C D:HEM168 4.3 37.1 1.0
C3A D:HEM168 4.3 44.5 1.0
C2A D:HEM168 4.3 45.4 1.0
C3C D:HEM168 4.3 37.1 1.0

Reference:

B.J.Smagghe, J.A.Hoy, M.S.Hargrove. The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 To Be Published.
Page generated: Sun Aug 4 02:04:32 2024

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