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Iron in PDB 2zs1: Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin

Protein crystallography data

The structure of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin, PDB code: 2zs1 was solved by N.Numoto, T.Nakagawa, A.Kita, Y.Sasayama, Y.Fukumori, K.Miki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.76 / 1.70
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 111.302, 111.302, 274.930, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 20.7

Other elements in 2zs1:

The structure of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin (pdb code 2zs1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin, PDB code: 2zs1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 2zs1

Go back to Iron Binding Sites List in 2zs1
Iron binding site 1 out of 4 in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe200

b:22.2
occ:1.00
FE A:HEM200 0.0 22.2 1.0
O1 A:OXY201 1.8 25.6 1.0
ND A:HEM200 2.0 23.2 1.0
NA A:HEM200 2.0 21.6 1.0
NB A:HEM200 2.1 22.9 1.0
NC A:HEM200 2.1 21.6 1.0
NE2 A:HIS94 2.1 20.0 1.0
O2 A:OXY201 2.9 26.8 1.0
CD2 A:HIS94 3.0 22.6 1.0
C1D A:HEM200 3.0 24.2 1.0
C4C A:HEM200 3.1 24.6 1.0
C4D A:HEM200 3.1 21.2 1.0
C4B A:HEM200 3.1 22.6 1.0
C1C A:HEM200 3.1 22.7 1.0
C1A A:HEM200 3.1 21.0 1.0
C4A A:HEM200 3.1 20.1 1.0
C1B A:HEM200 3.1 21.5 1.0
CE1 A:HIS94 3.1 21.5 1.0
CHD A:HEM200 3.4 23.6 1.0
CHC A:HEM200 3.4 21.6 1.0
CHA A:HEM200 3.4 21.5 1.0
CHB A:HEM200 3.4 21.6 1.0
ND1 A:HIS94 4.2 24.2 1.0
CG A:HIS94 4.2 22.9 1.0
C2D A:HEM200 4.3 23.0 1.0
C3D A:HEM200 4.3 23.0 1.0
C3C A:HEM200 4.3 20.7 1.0
C2C A:HEM200 4.3 22.0 1.0
C2A A:HEM200 4.3 22.1 1.0
C3A A:HEM200 4.3 21.8 1.0
C3B A:HEM200 4.3 23.3 1.0
C2B A:HEM200 4.3 23.1 1.0
CG2 A:VAL66 4.7 21.6 1.0
CE1 A:HIS62 4.9 24.0 1.0

Iron binding site 2 out of 4 in 2zs1

Go back to Iron Binding Sites List in 2zs1
Iron binding site 2 out of 4 in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe200

b:26.0
occ:1.00
FE B:HEM200 0.0 26.0 1.0
O1 B:OXY201 1.8 26.6 0.5
ND B:HEM200 2.0 27.3 1.0
NE2 B:HIS94 2.0 26.7 1.0
NB B:HEM200 2.1 26.0 1.0
NA B:HEM200 2.1 25.4 1.0
NC B:HEM200 2.1 25.5 1.0
O2 B:OXY201 2.9 27.2 0.5
CE1 B:HIS94 3.0 28.3 1.0
C1D B:HEM200 3.1 27.8 1.0
C4D B:HEM200 3.1 25.2 1.0
C4B B:HEM200 3.1 26.2 1.0
C1B B:HEM200 3.1 25.9 1.0
C4A B:HEM200 3.1 27.0 1.0
C1C B:HEM200 3.1 26.4 1.0
C1A B:HEM200 3.1 26.4 1.0
CD2 B:HIS94 3.1 27.3 1.0
C4C B:HEM200 3.1 28.6 1.0
CHD B:HEM200 3.4 29.3 1.0
CHC B:HEM200 3.4 26.3 1.0
CHA B:HEM200 3.4 26.4 1.0
CHB B:HEM200 3.4 25.5 1.0
ND1 B:HIS94 4.1 26.1 1.0
CG B:HIS94 4.2 27.1 1.0
C2D B:HEM200 4.3 28.5 1.0
C3D B:HEM200 4.3 28.8 1.0
C3B B:HEM200 4.3 25.4 1.0
C2B B:HEM200 4.3 26.9 1.0
C3A B:HEM200 4.3 26.5 1.0
C2A B:HEM200 4.3 26.1 1.0
C2C B:HEM200 4.3 27.7 1.0
C3C B:HEM200 4.3 27.5 1.0
CG2 B:VAL66 4.4 22.3 1.0
CE1 B:HIS62 4.8 26.8 1.0

Iron binding site 3 out of 4 in 2zs1

Go back to Iron Binding Sites List in 2zs1
Iron binding site 3 out of 4 in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe200

b:24.8
occ:1.00
FE C:HEM200 0.0 24.8 1.0
O1 C:OXY201 1.8 24.5 1.0
NA C:HEM200 2.0 25.8 1.0
ND C:HEM200 2.0 24.2 1.0
NB C:HEM200 2.1 23.6 1.0
NC C:HEM200 2.1 26.6 1.0
NE2 C:HIS98 2.1 25.6 1.0
O2 C:OXY201 2.9 25.9 1.0
C1A C:HEM200 3.0 26.2 1.0
C4D C:HEM200 3.0 24.8 1.0
C4A C:HEM200 3.1 25.0 1.0
CE1 C:HIS98 3.1 23.9 1.0
C1D C:HEM200 3.1 26.4 1.0
C4C C:HEM200 3.1 26.5 1.0
C1B C:HEM200 3.1 24.4 1.0
CD2 C:HIS98 3.1 25.5 1.0
C4B C:HEM200 3.1 25.3 1.0
C1C C:HEM200 3.1 25.4 1.0
CHA C:HEM200 3.4 26.8 1.0
CHD C:HEM200 3.4 27.6 1.0
CHB C:HEM200 3.4 24.3 1.0
CHC C:HEM200 3.5 25.5 1.0
ND1 C:HIS98 4.2 26.2 1.0
CG C:HIS98 4.2 24.1 1.0
C2A C:HEM200 4.3 24.9 1.0
C3D C:HEM200 4.3 27.4 1.0
C2D C:HEM200 4.3 26.6 1.0
C3A C:HEM200 4.3 24.4 1.0
C3C C:HEM200 4.3 27.3 1.0
C2B C:HEM200 4.3 23.6 1.0
C3B C:HEM200 4.3 24.3 1.0
C2C C:HEM200 4.3 27.1 1.0
CG2 C:VAL70 4.7 23.5 1.0
CE1 C:HIS66 4.9 24.5 1.0

Iron binding site 4 out of 4 in 2zs1

Go back to Iron Binding Sites List in 2zs1
Iron binding site 4 out of 4 in the Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe200

b:24.7
occ:1.00
FE D:HEM200 0.0 24.7 1.0
O1 D:OXY201 1.8 23.3 0.8
NE2 D:HIS96 2.0 24.3 1.0
ND D:HEM200 2.0 24.7 1.0
NA D:HEM200 2.0 24.6 1.0
NC D:HEM200 2.1 23.4 1.0
NB D:HEM200 2.1 25.1 1.0
CE1 D:HIS96 3.0 26.5 1.0
O2 D:OXY201 3.0 24.4 0.8
CD2 D:HIS96 3.0 26.9 1.0
C1D D:HEM200 3.1 26.1 1.0
C4C D:HEM200 3.1 26.3 1.0
C4D D:HEM200 3.1 26.8 1.0
C1A D:HEM200 3.1 25.2 1.0
C1C D:HEM200 3.1 22.8 1.0
C4A D:HEM200 3.1 26.7 1.0
C4B D:HEM200 3.1 23.5 1.0
C1B D:HEM200 3.1 26.1 1.0
CHD D:HEM200 3.4 27.4 1.0
CHA D:HEM200 3.4 25.8 1.0
CHC D:HEM200 3.4 23.4 1.0
CHB D:HEM200 3.4 26.8 1.0
ND1 D:HIS96 4.1 25.0 1.0
CG D:HIS96 4.2 25.7 1.0
C2D D:HEM200 4.3 27.9 1.0
C3D D:HEM200 4.3 29.5 1.0
C2C D:HEM200 4.3 23.7 1.0
C3C D:HEM200 4.3 25.0 1.0
C2A D:HEM200 4.3 26.8 1.0
C3A D:HEM200 4.3 26.8 1.0
C3B D:HEM200 4.3 25.5 1.0
C2B D:HEM200 4.4 27.8 1.0
NE2 D:GLN64 4.5 27.7 1.0
CG2 D:VAL68 4.8 26.9 1.0

Reference:

N.Numoto, T.Nakagawa, A.Kita, Y.Sasayama, Y.Fukumori, K.Miki. Structural Basis For the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin Biochemistry V. 47 11231 2008.
ISSN: ISSN 0006-2960
PubMed: 18834142
DOI: 10.1021/BI8012609
Page generated: Sun Dec 13 14:59:14 2020

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