Iron in PDB 5lk9: Dehaloperoxidase B From Amphitrite Ornata: Indazole Complex

The structure of Dehaloperoxidase B From Amphitrite Ornata: Indazole Complex, PDB code: 5lk9 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)	48.38 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.250, 68.410, 68.430, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 16.7

The binding sites of Iron atom in the Dehaloperoxidase B From Amphitrite Ornata: Indazole Complex (pdb code 5lk9). 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: Indazole Complex, PDB code: 5lk9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dehaloperoxidase B From Amphitrite Ornata: Indazole 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: Indazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:11.3 occ:1.00 FE A:HEM201 0.0 11.3 1.0 ND A:HEM201 2.0 11.1 1.0 NA A:HEM201 2.0 10.2 1.0 NB A:HEM201 2.1 11.0 1.0 NC A:HEM201 2.1 11.4 1.0 NE2 A:HIS89 2.2 11.0 1.0 O A:HOH313 2.2 17.9 0.3 C1D A:HEM201 3.0 11.4 1.0 C1A A:HEM201 3.1 10.6 1.0 C1B A:HEM201 3.1 9.6 1.0 C4A A:HEM201 3.1 10.6 1.0 C4C A:HEM201 3.1 12.2 1.0 C4D A:HEM201 3.1 10.9 1.0 C1C A:HEM201 3.1 10.2 1.0 C4B A:HEM201 3.1 9.9 1.0 CE1 A:HIS89 3.2 12.1 1.0 CD2 A:HIS89 3.2 12.0 1.0 CHB A:HEM201 3.4 10.2 1.0 CHD A:HEM201 3.5 12.1 1.0 CHC A:HEM201 3.5 11.2 1.0 CHA A:HEM201 3.6 10.4 1.0 C3 A:LZ1205 3.9 19.5 0.7 C4 A:LZ1205 4.2 22.3 0.7 C3C A:HEM201 4.3 12.1 1.0 C2A A:HEM201 4.3 10.4 1.0 ND1 A:HIS89 4.3 12.0 1.0 C2C A:HEM201 4.3 10.8 1.0 C2D A:HEM201 4.3 12.2 1.0 C3D A:HEM201 4.3 11.7 1.0 C3A A:HEM201 4.3 11.0 1.0 C2B A:HEM201 4.4 10.2 1.0 CG A:HIS89 4.4 12.1 1.0 C3B A:HEM201 4.4 9.7 1.0 CG2 A:VAL59 4.4 11.0 1.0 CE A:MET86 4.8 14.2 1.0 CG1 A:VAL59 4.8 11.5 1.0

Iron binding site 2 out of 2 in the Dehaloperoxidase B From Amphitrite Ornata: Indazole 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: Indazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:9.6 occ:1.00 FE B:HEM302 0.0 9.6 1.0 ND B:HEM302 2.0 10.9 1.0 NA B:HEM302 2.1 9.9 1.0 NC B:HEM302 2.1 11.5 1.0 NB B:HEM302 2.1 9.7 1.0 NE2 B:HIS89 2.2 10.2 1.0 C1D B:HEM302 3.0 10.4 1.0 C4D B:HEM302 3.1 10.2 1.0 C4A B:HEM302 3.1 9.0 1.0 C1A B:HEM302 3.1 9.6 1.0 C4B B:HEM302 3.1 9.8 1.0 C4C B:HEM302 3.1 9.9 1.0 C1C B:HEM302 3.1 9.7 1.0 C1B B:HEM302 3.1 9.1 1.0 CE1 B:HIS89 3.2 10.5 1.0 CD2 B:HIS89 3.2 9.9 1.0 CHD B:HEM302 3.5 10.3 1.0 CHB B:HEM302 3.5 9.4 1.0 CHA B:HEM302 3.5 9.4 1.0 CHC B:HEM302 3.5 10.0 1.0 C3 B:LZ1305 3.9 17.4 1.0 ND1 B:HIS89 4.3 10.7 1.0 C2A B:HEM302 4.3 10.3 1.0 C2D B:HEM302 4.3 11.0 1.0 C3A B:HEM302 4.3 9.8 1.0 C3D B:HEM302 4.3 10.9 1.0 C3C B:HEM302 4.3 10.3 1.0 C2C B:HEM302 4.3 10.5 1.0 CG B:HIS89 4.4 10.3 1.0 C3B B:HEM302 4.4 9.1 1.0 C2B B:HEM302 4.4 9.1 1.0 C4 B:LZ1305 4.4 16.6 1.0 CG2 B:VAL59 4.4 9.5 1.0 CE B:MET86 4.8 14.7 1.0 CG1 B:VAL59 4.8 8.9 1.0 C2 B:LZ1305 4.9 16.5 1.0

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