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Iron in PDB 3mou: Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin From Amphitrite Ornata Using High- Pressure Xenon Derivatization

Protein crystallography data

The structure of Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin From Amphitrite Ornata Using High- Pressure Xenon Derivatization, PDB code: 3mou was solved by V.S.De Serrano, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.51 / 1.71
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.945, 67.708, 68.359, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 23

Other elements in 3mou:

The structure of Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin From Amphitrite Ornata Using High- Pressure Xenon Derivatization also contains other interesting chemical elements:

Xenon (Xe) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin From Amphitrite Ornata Using High- Pressure Xenon Derivatization (pdb code 3mou). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin From Amphitrite Ornata Using High- Pressure Xenon Derivatization, PDB code: 3mou:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3mou

Go back to Iron Binding Sites List in 3mou
Iron binding site 1 out of 2 in the Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin From Amphitrite Ornata Using High- Pressure Xenon Derivatization


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin From Amphitrite Ornata Using High- Pressure Xenon Derivatization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe139

b:12.6
occ:1.00
FE A:HEM139 0.0 12.6 1.0
O A:HOH834 2.0 11.8 0.7
NC A:HEM139 2.1 11.7 1.0
ND A:HEM139 2.1 13.8 1.0
NA A:HEM139 2.1 12.9 1.0
NB A:HEM139 2.1 10.7 1.0
NE2 A:HIS89 2.2 16.3 1.0
C1D A:HEM139 3.1 14.9 1.0
C4C A:HEM139 3.1 13.0 1.0
C1C A:HEM139 3.1 11.7 1.0
C4D A:HEM139 3.1 15.1 1.0
C4A A:HEM139 3.1 12.8 1.0
C1A A:HEM139 3.1 14.4 1.0
C1B A:HEM139 3.1 10.7 1.0
C4B A:HEM139 3.1 9.9 1.0
CE1 A:HIS89 3.2 16.5 1.0
CD2 A:HIS89 3.2 17.6 1.0
CHD A:HEM139 3.4 14.5 1.0
CHB A:HEM139 3.4 11.3 1.0
CHA A:HEM139 3.5 14.2 1.0
CHC A:HEM139 3.5 10.8 1.0
C3C A:HEM139 4.3 12.2 1.0
ND1 A:HIS89 4.3 17.3 1.0
C2C A:HEM139 4.3 10.9 1.0
C2D A:HEM139 4.3 15.8 1.0
C3A A:HEM139 4.3 13.7 1.0
C2A A:HEM139 4.3 15.1 1.0
C3D A:HEM139 4.3 17.1 1.0
C2B A:HEM139 4.3 9.5 1.0
CG A:HIS89 4.3 18.4 1.0
C3B A:HEM139 4.3 9.7 1.0
CG2 A:VAL59 4.4 11.0 1.0
XE A:XE181 4.8 13.1 0.4
CE A:MET86 4.9 17.9 0.6
CG1 A:VAL59 4.9 10.5 1.0
CE1 A:HIS55 5.0 13.9 0.1

Iron binding site 2 out of 2 in 3mou

Go back to Iron Binding Sites List in 3mou
Iron binding site 2 out of 2 in the Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin From Amphitrite Ornata Using High- Pressure Xenon Derivatization


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin From Amphitrite Ornata Using High- Pressure Xenon Derivatization within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe139

b:10.6
occ:1.00
FE B:HEM139 0.0 10.6 1.0
NA B:HEM139 2.0 10.3 1.0
O B:HOH835 2.1 7.8 0.7
NC B:HEM139 2.1 11.3 1.0
NB B:HEM139 2.1 10.0 1.0
ND B:HEM139 2.1 11.5 1.0
NE2 B:HIS89 2.2 10.5 1.0
C4A B:HEM139 3.0 9.8 1.0
C1A B:HEM139 3.1 11.8 1.0
C4C B:HEM139 3.1 11.7 1.0
C1C B:HEM139 3.1 10.5 1.0
C1D B:HEM139 3.1 13.3 1.0
C1B B:HEM139 3.1 9.4 1.0
C4B B:HEM139 3.1 10.1 1.0
C4D B:HEM139 3.1 13.4 1.0
CD2 B:HIS89 3.2 12.8 1.0
CE1 B:HIS89 3.2 12.6 1.0
CHD B:HEM139 3.4 12.3 1.0
CHB B:HEM139 3.4 9.6 1.0
CHA B:HEM139 3.5 11.2 1.0
CHC B:HEM139 3.5 9.9 1.0
C3A B:HEM139 4.3 10.7 1.0
C2A B:HEM139 4.3 12.2 1.0
C2C B:HEM139 4.3 11.1 1.0
C3C B:HEM139 4.3 12.0 1.0
ND1 B:HIS89 4.3 12.7 1.0
C2B B:HEM139 4.3 8.2 1.0
C3B B:HEM139 4.3 9.5 1.0
CG B:HIS89 4.3 13.2 1.0
C2D B:HEM139 4.3 14.5 1.0
C3D B:HEM139 4.4 14.4 1.0
CG2 B:VAL59 4.4 8.6 0.4
CG2 B:VAL59 4.5 9.0 0.6
NE2 B:HIS55 4.7 16.5 1.0
XE B:XE183 4.8 25.2 0.2
CE B:MET86 4.8 15.3 1.0
CG1 B:VAL59 4.9 7.6 0.6

Reference:

V.S.De Serrano, S.Franzen. Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin From Amphitrite Ornata Using High-Pressure Xenon Derivatization To Be Published.
Page generated: Sun Dec 13 15:12:50 2020

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