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Iron in PDB 1ewa: Dehaloperoxidase and 4-Iodophenol

Protein crystallography data

The structure of Dehaloperoxidase and 4-Iodophenol, PDB code: 1ewa was solved by M.W.Lacount, E.Zhang, Y.P.Chen, K.Han, M.M.Whitton, D.E.Lincoln, S.A.Woodin, L.Lebioda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.500, 68.400, 61.000, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 21.9

Other elements in 1ewa:

The structure of Dehaloperoxidase and 4-Iodophenol also contains other interesting chemical elements:

Iodine (I) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Dehaloperoxidase and 4-Iodophenol (pdb code 1ewa). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Dehaloperoxidase and 4-Iodophenol, PDB code: 1ewa:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1ewa

Go back to Iron Binding Sites List in 1ewa
Iron binding site 1 out of 2 in the Dehaloperoxidase and 4-Iodophenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dehaloperoxidase and 4-Iodophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe139

b:25.2
occ:1.00
FE A:HEM139 0.0 25.2 1.0
ND A:HEM139 2.0 25.4 1.0
NC A:HEM139 2.0 25.4 1.0
NB A:HEM139 2.0 24.5 1.0
NA A:HEM139 2.0 25.4 1.0
NE2 A:HIS89 2.5 30.7 1.0
C1D A:HEM139 3.0 25.8 1.0
C1C A:HEM139 3.0 24.2 1.0
C4D A:HEM139 3.0 26.2 1.0
C1B A:HEM139 3.1 24.3 1.0
C4C A:HEM139 3.1 25.5 1.0
C1A A:HEM139 3.1 25.9 1.0
C4A A:HEM139 3.1 25.2 1.0
C4B A:HEM139 3.1 24.0 1.0
CHD A:HEM139 3.4 25.3 1.0
CE1 A:HIS89 3.4 30.9 1.0
CHA A:HEM139 3.4 25.6 1.0
CHB A:HEM139 3.4 24.9 1.0
CHC A:HEM139 3.4 23.0 1.0
CD2 A:HIS89 3.4 30.9 1.0
C2 A:IOL152 3.6 30.0 1.0
C3 A:IOL152 4.1 30.0 1.0
C2D A:HEM139 4.3 26.9 1.0
C3D A:HEM139 4.3 28.2 1.0
C3C A:HEM139 4.3 24.9 1.0
C3A A:HEM139 4.3 26.2 1.0
C2B A:HEM139 4.3 23.7 1.0
C2A A:HEM139 4.3 26.9 1.0
C2C A:HEM139 4.3 24.6 1.0
C3B A:HEM139 4.3 23.4 1.0
C1 A:IOL152 4.4 30.0 1.0
CG2 A:VAL59 4.5 18.2 1.0
ND1 A:HIS89 4.5 30.1 1.0
CG A:HIS89 4.6 31.0 1.0
I1 A:IOL152 4.6 30.0 1.0
CG1 A:VAL59 4.8 17.6 1.0

Iron binding site 2 out of 2 in 1ewa

Go back to Iron Binding Sites List in 1ewa
Iron binding site 2 out of 2 in the Dehaloperoxidase and 4-Iodophenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dehaloperoxidase and 4-Iodophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe139

b:24.5
occ:1.00
FE B:HEM139 0.0 24.5 1.0
ND B:HEM139 2.0 24.2 1.0
NC B:HEM139 2.0 23.7 1.0
NB B:HEM139 2.0 21.6 1.0
NA B:HEM139 2.0 22.3 1.0
NE2 B:HIS89 2.4 24.8 1.0
C4D B:HEM139 3.0 24.9 1.0
C1C B:HEM139 3.0 24.2 1.0
C1D B:HEM139 3.0 25.6 1.0
C1B B:HEM139 3.0 20.2 1.0
C1A B:HEM139 3.1 22.7 1.0
C4C B:HEM139 3.1 25.5 1.0
C4A B:HEM139 3.1 21.8 1.0
C4B B:HEM139 3.1 21.6 1.0
CE1 B:HIS89 3.3 25.1 1.0
CHD B:HEM139 3.4 25.2 1.0
CHA B:HEM139 3.4 23.9 1.0
CHB B:HEM139 3.4 20.1 1.0
CHC B:HEM139 3.4 23.7 1.0
CD2 B:HIS89 3.5 24.9 1.0
C6 B:IOL153 4.0 30.0 1.0
C2D B:HEM139 4.3 26.6 1.0
C3D B:HEM139 4.3 27.6 1.0
CG2 B:VAL59 4.3 17.3 1.0
C3A B:HEM139 4.3 21.8 1.0
C2B B:HEM139 4.3 19.9 1.0
C2A B:HEM139 4.3 23.6 1.0
C2C B:HEM139 4.3 24.7 1.0
C3B B:HEM139 4.3 20.7 1.0
C3C B:HEM139 4.3 25.5 1.0
C5 B:IOL153 4.3 30.0 1.0
ND1 B:HIS89 4.4 23.6 1.0
CG B:HIS89 4.6 26.5 1.0
C1 B:IOL153 4.6 30.0 1.0
CG1 B:VAL59 4.8 16.8 1.0
I1 B:IOL153 5.0 30.0 1.0

Reference:

M.W.Lacount, E.Zhang, Y.P.Chen, K.Han, M.M.Whitton, D.E.Lincoln, S.A.Woodin, L.Lebioda. The Crystal Structure and Amino Acid Sequence of Dehaloperoxidase From Amphitrite Ornata Indicate Common Ancestry with Globins J.Biol.Chem. V. 275 18712 2000.
ISSN: ISSN 0021-9258
PubMed: 10751397
DOI: 10.1074/JBC.M001194200
Page generated: Sat Aug 3 04:37:53 2024

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