Iron in PDB 4hsw: Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata

All present enzymatic activity of Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata:
1.11.1.7;

The structure of Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata, PDB code: 4hsw was solved by M.K.Thompson, A.Plummer, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.04 / 1.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.586, 66.731, 69.220, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 16.4

The binding sites of Iron atom in the Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata (pdb code 4hsw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata, PDB code: 4hsw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.6 occ:1.00 FE A:HEM201 0.0 9.6 1.0 NC A:HEM201 2.0 10.0 1.0 ND A:HEM201 2.0 10.3 1.0 NB A:HEM201 2.0 9.3 1.0 NA A:HEM201 2.0 9.6 1.0 NE2 A:HIS89 2.1 10.2 1.0 O A:HOH486 2.1 13.6 1.0 C1D A:HEM201 3.0 10.5 1.0 C1B A:HEM201 3.0 8.8 1.0 CE1 A:HIS89 3.0 9.8 1.0 C1A A:HEM201 3.1 11.3 1.0 C1C A:HEM201 3.1 9.8 1.0 C4C A:HEM201 3.1 10.5 1.0 C4B A:HEM201 3.1 8.8 1.0 C4D A:HEM201 3.1 10.6 1.0 C4A A:HEM201 3.1 10.2 1.0 CD2 A:HIS89 3.1 10.7 1.0 CHD A:HEM201 3.4 10.5 1.0 CHC A:HEM201 3.4 10.2 1.0 CHA A:HEM201 3.4 12.4 1.0 CHB A:HEM201 3.5 9.7 1.0 ND1 A:HIS89 4.2 10.2 1.0 CG A:HIS89 4.2 10.2 1.0 C3D A:HEM201 4.3 11.8 1.0 C2D A:HEM201 4.3 12.3 1.0 C2A A:HEM201 4.3 11.8 1.0 C2C A:HEM201 4.3 10.8 1.0 C3A A:HEM201 4.3 11.3 1.0 C3C A:HEM201 4.3 11.4 1.0 C2B A:HEM201 4.3 9.2 1.0 C3B A:HEM201 4.3 10.2 1.0 CG2 A:VAL59 4.4 10.6 1.0 NE2 A:HIS55 4.6 12.5 1.0 CE A:MET86 4.9 15.2 1.0

Iron binding site 2 out of 2 in the Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the L100F Mutant of Dehaloperoxidase-Hemoglobin A From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:9.2 occ:1.00 FE B:HEM201 0.0 9.2 1.0 ND B:HEM201 2.0 10.0 1.0 NC B:HEM201 2.0 11.2 1.0 NA B:HEM201 2.0 9.0 1.0 NB B:HEM201 2.1 9.0 1.0 NE2 B:HIS89 2.1 9.2 1.0 O B:HOH474 2.1 15.8 1.0 C1D B:HEM201 3.0 11.3 1.0 C4D B:HEM201 3.0 10.4 1.0 C1C B:HEM201 3.0 10.7 1.0 C4C B:HEM201 3.1 10.9 1.0 C4A B:HEM201 3.1 8.8 1.0 CE1 B:HIS89 3.1 9.8 1.0 C1A B:HEM201 3.1 9.6 1.0 C1B B:HEM201 3.1 8.4 1.0 C4B B:HEM201 3.1 9.4 1.0 CD2 B:HIS89 3.1 9.2 1.0 CHD B:HEM201 3.4 10.8 1.0 CHC B:HEM201 3.4 10.2 1.0 CHA B:HEM201 3.4 10.5 1.0 CHB B:HEM201 3.5 8.9 1.0 ND1 B:HIS89 4.2 9.9 1.0 CG B:HIS89 4.3 8.9 1.0 C2D B:HEM201 4.3 11.3 1.0 C3B B:HEM201 4.3 9.9 1.0 C3D B:HEM201 4.3 11.1 1.0 C2A B:HEM201 4.3 10.3 1.0 C3C B:HEM201 4.3 12.3 1.0 C3A B:HEM201 4.3 9.4 1.0 C2C B:HEM201 4.3 11.9 1.0 C2B B:HEM201 4.4 9.2 1.0 CG2 B:VAL59 4.4 9.8 1.0 NE2 B:HIS55 4.7 8.9 0.5 CE B:MET86 4.9 13.3 1.0

A.Plummer, M.K.Thompson, S.Franzen. Role of Polarity of the Distal Pocket in the Control of Inhibitor Binding in Dehaloperoxidase-Hemoglobin. Biochemistry V. 52 2218 2013.
ISSN: ISSN 0006-2960
PubMed: 23480794
DOI: 10.1021/BI301509R