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Iron in PDB 5lkv: Dehaloperoxidase B From Amphitrite Ornata: Imidazole Complex

Protein crystallography data

The structure of Dehaloperoxidase B From Amphitrite Ornata: Imidazole Complex, PDB code: 5lkv was solved by T.M.Chicano, F.S.N.Dworkowski, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.69 / 1.08
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.359, 67.359, 67.522, 90.00, 90.00, 90.00
R / Rfree (%) 12.2 / 14.1

Iron Binding Sites:

The binding sites of Iron atom in the Dehaloperoxidase B From Amphitrite Ornata: Imidazole Complex (pdb code 5lkv). 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 B From Amphitrite Ornata: Imidazole Complex, PDB code: 5lkv:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 5lkv

Go back to Iron Binding Sites List in 5lkv
Iron binding site 1 out of 2 in the Dehaloperoxidase B From Amphitrite Ornata: Imidazole Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dehaloperoxidase B From Amphitrite Ornata: Imidazole Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:8.6
occ:1.00
FE A:HEM201 0.0 8.6 1.0
NA A:HEM201 2.0 8.9 1.0
ND A:HEM201 2.0 9.2 1.0
NC A:HEM201 2.0 9.3 1.0
NB A:HEM201 2.0 8.1 1.0
N3 A:IMD205 2.1 9.4 1.0
NE2 A:HIS89 2.1 8.6 1.0
C1D A:HEM201 3.0 9.5 1.0
C4C A:HEM201 3.0 9.4 1.0
C1A A:HEM201 3.0 9.0 1.0
C4D A:HEM201 3.0 9.9 1.0
C2 A:IMD205 3.0 10.0 1.0
C1C A:HEM201 3.0 9.3 1.0
C4B A:HEM201 3.0 8.0 1.0
C1B A:HEM201 3.0 8.0 1.0
C4A A:HEM201 3.0 8.7 1.0
C4 A:IMD205 3.1 10.1 1.0
CE1 A:HIS89 3.1 9.2 1.0
CD2 A:HIS89 3.1 9.1 1.0
CHD A:HEM201 3.4 9.8 1.0
CHC A:HEM201 3.4 8.8 1.0
CHA A:HEM201 3.4 9.5 1.0
CHB A:HEM201 3.4 8.6 1.0
N1 A:IMD205 4.2 10.6 1.0
ND1 A:HIS89 4.2 9.4 1.0
C5 A:IMD205 4.2 10.7 1.0
CG A:HIS89 4.2 9.0 1.0
C3C A:HEM201 4.2 9.7 1.0
C2C A:HEM201 4.2 9.7 1.0
C2A A:HEM201 4.2 9.5 1.0
C2D A:HEM201 4.3 10.5 1.0
C3A A:HEM201 4.3 8.7 1.0
C3D A:HEM201 4.3 10.3 1.0
C2B A:HEM201 4.3 7.9 1.0
C3B A:HEM201 4.3 8.0 1.0
CG2 A:VAL59 4.5 7.5 1.0
CE A:MET86 4.9 13.1 1.0

Iron binding site 2 out of 2 in 5lkv

Go back to Iron Binding Sites List in 5lkv
Iron binding site 2 out of 2 in the Dehaloperoxidase B From Amphitrite Ornata: Imidazole Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dehaloperoxidase B From Amphitrite Ornata: Imidazole Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:8.6
occ:1.00
FE B:HEM201 0.0 8.6 1.0
ND B:HEM201 2.0 10.3 1.0
NA B:HEM201 2.0 8.7 1.0
N3 B:IMD203 2.0 9.8 1.0
NC B:HEM201 2.0 9.3 1.0
NB B:HEM201 2.0 7.5 1.0
NE2 B:HIS89 2.1 8.7 1.0
C1D B:HEM201 3.0 10.7 1.0
C2 B:IMD203 3.0 10.7 1.0
C4C B:HEM201 3.0 9.8 1.0
C4D B:HEM201 3.0 11.0 1.0
C4 B:IMD203 3.0 10.1 1.0
C1C B:HEM201 3.0 9.2 1.0
C4B B:HEM201 3.0 7.7 1.0
C1B B:HEM201 3.0 7.1 1.0
C4A B:HEM201 3.1 8.1 1.0
CE1 B:HIS89 3.1 8.9 1.0
CD2 B:HIS89 3.1 8.5 1.0
C1A B:HEM201 3.1 9.7 1.0
CHD B:HEM201 3.4 10.5 1.0
CHB B:HEM201 3.4 7.8 1.0
CHC B:HEM201 3.4 8.7 1.0
CHA B:HEM201 3.5 11.1 1.0
N1 B:IMD203 4.1 11.3 1.0
C5 B:IMD203 4.2 11.2 1.0
ND1 B:HIS89 4.2 8.6 1.0
CG B:HIS89 4.2 8.2 1.0
C3C B:HEM201 4.2 10.5 1.0
C2C B:HEM201 4.2 10.0 1.0
C2D B:HEM201 4.2 12.1 1.0
C3D B:HEM201 4.3 12.9 1.0
C3A B:HEM201 4.3 9.3 1.0
C2B B:HEM201 4.3 6.8 1.0
C3B B:HEM201 4.3 7.3 1.0
C2A B:HEM201 4.3 10.2 1.0
CG2 B:VAL59 4.6 9.8 1.0
CE B:MET86 4.8 13.9 1.0
CG1 B:VAL59 5.0 9.8 1.0

Reference:

T.M.Chicano, M.A.Hough. Dehaloperoxidase B From Amphitrite Ornata: Imidazole Complex To Be Published.
Page generated: Tue Aug 6 04:40:11 2024

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