Bromine 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:

Iron

(Fe)

2 atoms

The binding sites of Bromine 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 Bromine atom.
In total 2 binding sites of Bromine where determined in the The V59W Mutation Blocks the Distal Pocket of the Hemoglobin - Dehaloperoxidase From Amphitrite Ornata, PDB code: 3o7n:
Jump to Bromine binding site number: 1; 2;

Bromine 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 Bromine with other atoms in the Br 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:Br191 b:63.4 occ:0.25 BR4 A:BML191 0.0 63.4 0.2 CZ2 A:TRP59 1.2 6.6 0.7 CH2 A:TRP59 1.3 6.1 0.7 CE2 A:TRP59 1.4 5.4 0.7 CZ3 A:TRP59 1.7 10.2 0.7 CD2 A:TRP59 1.8 4.9 0.7 C4 A:BML191 1.9 63.7 0.3 CE3 A:TRP59 1.9 10.3 0.7 NE1 A:TRP59 2.2 17.0 0.3 CE2 A:TRP59 2.6 13.9 0.3 CD1 A:TRP59 2.6 15.2 0.3 NE1 A:TRP59 2.7 5.0 0.7 C5 A:BML191 2.9 63.7 0.3 C3 A:BML191 2.9 63.7 0.3 CG A:TRP59 3.1 5.4 0.7 CD2 A:TRP59 3.2 14.9 0.3 CG A:TRP59 3.2 12.1 0.3 CZ2 A:TRP59 3.3 16.0 0.3 CD1 A:TRP59 3.5 5.9 0.7 CD1 A:PHE21 3.6 10.8 1.0 CE1 A:PHE21 3.9 12.7 1.0 C6 A:BML191 4.2 63.8 0.3 C2 A:BML191 4.2 63.3 0.3 CE3 A:TRP59 4.2 13.0 0.3 CH2 A:TRP59 4.2 16.2 0.3 CE2 A:PHE60 4.3 8.0 1.0 CB A:TRP59 4.3 6.3 0.3 CB A:TRP59 4.3 2.6 0.7 NC A:HEM139 4.3 5.8 1.0 C1C A:HEM139 4.3 3.9 1.0 CHC A:HEM139 4.6 7.1 1.0 CZ3 A:TRP59 4.6 11.5 0.3 C4C A:HEM139 4.7 4.5 1.0 C1 A:BML191 4.7 63.3 0.3 C2C A:HEM139 4.7 4.0 1.0 CD2 A:LEU100 4.8 8.3 1.0 CG A:PHE21 4.8 6.5 1.0 C4B A:HEM139 4.8 4.6 1.0 FE A:HEM139 4.8 5.8 1.0 NB A:HEM139 4.8 6.2 1.0 CZ A:PHE35 4.9 7.1 1.0 C3C A:HEM139 4.9 5.5 1.0 CD1 A:LEU100 4.9 6.2 1.0 CZ A:PHE60 5.0 8.8 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br192 b:32.9 occ:0.14 BR4 B:BML192 0.0 32.9 0.1 CZ3 B:TRP59 0.3 20.0 0.7 CH2 B:TRP59 1.5 16.9 0.7 CE3 B:TRP59 1.7 19.0 0.7 NE1 B:TRP59 1.8 13.7 0.3 C4 B:BML192 1.9 32.4 0.3 CZ2 B:TRP59 2.6 18.1 0.7 CD1 B:TRP59 2.6 13.4 0.3 CE2 B:TRP59 2.7 15.5 0.3 CD2 B:TRP59 2.7 16.4 0.7 C3 B:BML192 2.8 31.8 0.3 C5 B:BML192 2.9 31.3 0.3 CE2 B:TRP59 3.1 18.8 0.7 CZ2 B:TRP59 3.3 17.4 0.3 CG B:TRP59 3.7 11.5 0.3 CD2 B:TRP59 3.7 14.6 0.3 C1C B:HEM139 3.7 3.9 1.0 CE1 B:PHE21 3.9 9.3 1.0 CD1 B:PHE21 3.9 10.1 1.0 C2C B:HEM139 3.9 4.2 1.0 CHC B:HEM139 4.0 5.1 1.0 NC B:HEM139 4.0 3.9 1.0 CD2 B:LEU100 4.1 8.0 1.0 CD1 B:LEU100 4.1 7.2 1.0 CG B:TRP59 4.1 16.0 0.7 C2 B:BML192 4.1 31.0 0.3 C6 B:BML192 4.2 30.5 0.3 C4C B:HEM139 4.3 5.1 1.0 C3C B:HEM139 4.3 5.1 1.0 C4B B:HEM139 4.4 3.0 1.0 NE1 B:TRP59 4.4 15.7 0.7 CMC B:HEM139 4.5 3.1 1.0 CH2 B:TRP59 4.6 18.7 0.3 C1 B:BML192 4.7 30.9 0.3 CG B:LEU100 4.7 5.0 1.0 NB B:HEM139 4.7 5.8 1.0 CE2 B:PHE60 4.8 2.0 0.4 CB B:TRP59 4.9 7.7 0.7 FE B:HEM139 4.9 6.4 1.0 CZ B:PHE35 4.9 12.3 1.0 CE3 B:TRP59 4.9 16.4 0.3 CE2 B:PHE24 4.9 7.7 1.0 CD1 B:TRP59 4.9 16.7 0.7 CD2 B:PHE24 4.9 5.3 1.0 CZ B:PHE21 5.0 6.7 1.0 CB B:TRP59 5.0 7.2 0.3 O B:HOH200 5.0 9.8 0.7

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.