Iron in PDB 3o7n: The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase From Amphitrite Ornata

The structure of The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase From Amphitrite Ornata, PDB code: 3o7n was solved by V.S.De Serrano, M.F.Davis, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.08 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.925, 67.305, 69.253, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 23.7

The structure of The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase From Amphitrite Ornata also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Iron atom in the The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase From Amphitrite Ornata (pdb code 3o7n). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase From Amphitrite Ornata, PDB code: 3o7n:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase 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 The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe139 b:5.8 occ:1.00 FE A:HEM139 0.0 5.8 1.0 ND A:HEM139 2.0 6.2 1.0 NC A:HEM139 2.0 5.8 1.0 NA A:HEM139 2.1 7.2 1.0 NB A:HEM139 2.1 6.2 1.0 NE2 A:HIS89 2.1 6.7 1.0 CE2 A:TRP59 2.8 13.9 0.3 CZ2 A:TRP59 2.8 16.0 0.3 NE1 A:TRP59 2.9 17.0 0.3 C1D A:HEM139 3.0 6.9 1.0 C1C A:HEM139 3.1 3.9 1.0 C4D A:HEM139 3.1 8.1 1.0 C4C A:HEM139 3.1 4.5 1.0 C1A A:HEM139 3.1 8.8 1.0 C4B A:HEM139 3.1 4.6 1.0 CE1 A:HIS89 3.1 7.2 1.0 CD2 A:HIS89 3.1 7.2 1.0 C4A A:HEM139 3.1 4.2 1.0 C1B A:HEM139 3.1 3.0 1.0 CHD A:HEM139 3.4 6.8 1.0 CHC A:HEM139 3.4 7.1 1.0 CHA A:HEM139 3.5 8.8 1.0 CHB A:HEM139 3.5 3.1 1.0 CH2 A:TRP59 3.7 16.2 0.3 CD2 A:TRP59 3.8 14.9 0.3 CD1 A:TRP59 3.8 15.2 0.3 CE3 A:TRP59 4.0 10.3 0.7 CD2 A:TRP59 4.2 4.9 0.7 ND1 A:HIS89 4.2 6.1 1.0 C2D A:HEM139 4.2 9.8 1.0 CZ3 A:TRP59 4.2 10.2 0.7 CG A:HIS89 4.3 6.4 1.0 C3C A:HEM139 4.3 5.5 1.0 CG A:TRP59 4.3 12.1 0.3 C3D A:HEM139 4.3 10.9 1.0 C2C A:HEM139 4.3 4.0 1.0 C2B A:HEM139 4.3 4.4 1.0 C2A A:HEM139 4.3 5.3 1.0 C3B A:HEM139 4.3 5.6 1.0 C3A A:HEM139 4.3 7.5 1.0 CE2 A:TRP59 4.5 5.4 0.7 CZ3 A:TRP59 4.5 11.5 0.3 CE3 A:TRP59 4.5 13.0 0.3 CH2 A:TRP59 4.6 6.1 0.7 CZ2 A:TRP59 4.7 6.6 0.7 CG A:TRP59 4.7 5.4 0.7 CE A:MET86 4.7 10.3 1.0 BR4 A:BML191 4.8 63.4 0.2 C3 A:BML191 4.8 63.7 0.3

Iron binding site 2 out of 2 in the The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase 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 The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase From Amphitrite Ornata within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe139 b:6.4 occ:1.00 FE B:HEM139 0.0 6.4 1.0 NA B:HEM139 2.0 8.3 1.0 NB B:HEM139 2.0 5.8 1.0 NC B:HEM139 2.1 3.9 1.0 ND B:HEM139 2.1 6.8 1.0 NE2 B:HIS89 2.1 5.4 1.0 C4B B:HEM139 3.0 3.0 1.0 C4A B:HEM139 3.0 8.0 1.0 C4C B:HEM139 3.1 5.1 1.0 C1D B:HEM139 3.1 8.5 1.0 C4D B:HEM139 3.1 7.9 1.0 C1B B:HEM139 3.1 3.4 1.0 CE1 B:HIS89 3.1 9.4 1.0 C1C B:HEM139 3.1 3.9 1.0 C1A B:HEM139 3.1 9.8 1.0 CD2 B:HIS89 3.1 3.4 1.0 CHD B:HEM139 3.4 6.4 1.0 CE2 B:TRP59 3.4 18.8 0.7 CHC B:HEM139 3.5 5.1 1.0 CHB B:HEM139 3.5 5.2 1.0 CE2 B:TRP59 3.5 15.5 0.3 CZ2 B:TRP59 3.5 17.4 0.3 CHA B:HEM139 3.5 5.8 1.0 NE1 B:TRP59 3.6 15.7 0.7 NE1 B:TRP59 3.6 13.7 0.3 CZ2 B:TRP59 3.7 18.1 0.7 CD2 B:TRP59 4.0 16.4 0.7 CD1 B:TRP59 4.1 16.7 0.7 CH2 B:TRP59 4.2 18.7 0.3 CD2 B:TRP59 4.2 14.6 0.3 ND1 B:HIS89 4.2 7.2 1.0 C3A B:HEM139 4.3 5.4 1.0 CG B:HIS89 4.3 4.2 1.0 C2D B:HEM139 4.3 10.6 1.0 C2B B:HEM139 4.3 5.2 1.0 C3B B:HEM139 4.3 5.4 1.0 C2A B:HEM139 4.3 8.5 1.0 C3D B:HEM139 4.3 11.7 1.0 C3C B:HEM139 4.3 5.1 1.0 CG B:TRP59 4.3 16.0 0.7 C2C B:HEM139 4.3 4.2 1.0 CH2 B:TRP59 4.3 16.9 0.7 CD1 B:TRP59 4.4 13.4 0.3 C3 B:BML192 4.5 31.8 0.3 CE3 B:TRP59 4.6 19.0 0.7 CG B:TRP59 4.7 11.5 0.3 CE B:MET86 4.7 3.3 1.0 CZ3 B:TRP59 4.7 20.0 0.7 CZ3 B:TRP59 4.7 12.4 0.3 CE3 B:TRP59 4.7 16.4 0.3 BR4 B:BML192 4.9 32.9 0.1 C4 B:BML192 5.0 32.4 0.3

M.F.Davis, V.S.De Serrano, H.Gracz, F.A.P.Vendreix, A.Somasundram, M.Negrerie, S.Franzen. The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase From Amphitirite Ornata To Be Published.