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

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

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 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 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

T.M.Chicano, M.A.Hough. Dehaloperoxidase B From Amphitrite Ornata: Imidazole Complex To Be Published.