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

Protein crystallography data

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

Other elements in 3o7n:

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

Bromine Binding Sites:

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 3o7n

Go back to Bromine Binding Sites List in 3o7n
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 3o7n

Go back to Bromine Binding Sites List in 3o7n
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

Reference:

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.
Page generated: Wed Jul 10 20:04:48 2024

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