Iron in PDB 5k1l: Dehaloperoxidase B From Amphitrite Ornata: Benzimidazole Complex

The structure of Dehaloperoxidase B From Amphitrite Ornata: Benzimidazole Complex, PDB code: 5k1l was solved by T.Moreno Chicano, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.41 / 1.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.790, 68.300, 68.530, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 17.7

The binding sites of Iron atom in the Dehaloperoxidase B From Amphitrite Ornata: Benzimidazole Complex (pdb code 5k1l). 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: Benzimidazole Complex, PDB code: 5k1l:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dehaloperoxidase B From Amphitrite Ornata: Benzimidazole 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: Benzimidazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:21.7 occ:1.00 FE A:HEM201 0.0 21.7 1.0 ND A:HEM201 2.0 23.0 1.0 NA A:HEM201 2.0 23.6 1.0 NB A:HEM201 2.1 18.6 1.0 NC A:HEM201 2.1 22.8 1.0 NE2 A:HIS89 2.1 21.5 1.0 N3 A:BZI202 2.2 13.5 0.5 C1D A:HEM201 3.0 22.4 1.0 C1A A:HEM201 3.0 23.2 1.0 C4D A:HEM201 3.1 22.7 1.0 C4B A:HEM201 3.1 17.9 1.0 C4A A:HEM201 3.1 20.5 1.0 C2 A:BZI202 3.1 15.6 0.5 C4C A:HEM201 3.1 22.9 1.0 C1B A:HEM201 3.1 18.2 1.0 CE1 A:HIS89 3.1 20.9 1.0 C1C A:HEM201 3.1 20.0 1.0 CD2 A:HIS89 3.1 21.2 1.0 C3A A:BZI202 3.3 13.9 0.5 CHD A:HEM201 3.4 22.5 1.0 CHA A:HEM201 3.5 21.9 1.0 CHC A:HEM201 3.5 18.2 1.0 CHB A:HEM201 3.5 17.5 1.0 C4 A:BZI202 4.0 14.2 0.5 ND1 A:HIS89 4.2 23.2 1.0 C2A A:HEM201 4.2 20.9 1.0 C3A A:HEM201 4.3 20.0 1.0 CG A:HIS89 4.3 22.0 1.0 C2D A:HEM201 4.3 23.0 1.0 N1 A:BZI202 4.3 15.2 0.5 C3C A:HEM201 4.3 22.1 1.0 C3D A:HEM201 4.3 22.7 1.0 C2C A:HEM201 4.3 20.9 1.0 C3B A:HEM201 4.3 17.4 1.0 C2B A:HEM201 4.4 17.5 1.0 C7A A:BZI202 4.5 13.6 0.5 CG2 A:VAL59 4.6 13.5 1.0 CE A:MET86 4.9 24.4 1.0

Iron binding site 2 out of 2 in the Dehaloperoxidase B From Amphitrite Ornata: Benzimidazole 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: Benzimidazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:15.9 occ:1.00 FE B:HEM201 0.0 15.9 1.0 ND B:HEM201 2.0 18.3 1.0 NC B:HEM201 2.0 16.3 1.0 NA B:HEM201 2.0 16.3 1.0 N3 B:BZI202 2.1 15.8 1.0 NB B:HEM201 2.1 13.7 1.0 NE2 B:HIS89 2.1 15.9 1.0 C2 B:BZI202 3.0 17.4 1.0 C1D B:HEM201 3.0 18.2 1.0 C4D B:HEM201 3.0 19.1 1.0 C4C B:HEM201 3.0 17.3 1.0 C1A B:HEM201 3.1 18.9 1.0 C4B B:HEM201 3.1 14.0 1.0 C1C B:HEM201 3.1 15.0 1.0 C1B B:HEM201 3.1 13.0 1.0 C4A B:HEM201 3.1 14.5 1.0 CE1 B:HIS89 3.1 16.2 1.0 CD2 B:HIS89 3.1 16.4 1.0 C3A B:BZI202 3.2 15.6 1.0 CHD B:HEM201 3.4 17.4 1.0 CHA B:HEM201 3.4 19.8 1.0 CHC B:HEM201 3.5 15.0 1.0 CHB B:HEM201 3.5 14.5 1.0 C4 B:BZI202 3.9 15.9 1.0 N1 B:BZI202 4.2 16.5 1.0 ND1 B:HIS89 4.2 15.4 1.0 C3C B:HEM201 4.3 16.8 1.0 CG B:HIS89 4.3 15.6 1.0 C2C B:HEM201 4.3 17.0 1.0 C2A B:HEM201 4.3 19.1 1.0 C3D B:HEM201 4.3 20.1 1.0 C2D B:HEM201 4.3 19.8 1.0 C3A B:HEM201 4.3 16.3 1.0 C2B B:HEM201 4.3 12.2 1.0 C3B B:HEM201 4.3 12.5 1.0 C7A B:BZI202 4.4 15.4 1.0 CG2 B:VAL59 4.9 13.1 1.0 CE B:MET86 5.0 20.9 1.0

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