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Bromine in PDB 6vdv: Crystal Structure of Dehaloperoxidase B in Complex with Cofactor Manganese(III)- Porphyrin and Substrate 4-Bromophenol

Protein crystallography data

The structure of Crystal Structure of Dehaloperoxidase B in Complex with Cofactor Manganese(III)- Porphyrin and Substrate 4-Bromophenol, PDB code: 6vdv was solved by R.A.Ghiladi, V.S.De Serrano, A.Mcguire, T.Malewschik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.85 / 1.88
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.496, 67.662, 67.681, 90, 90, 90
R / Rfree (%) 17.3 / 22.2

Other elements in 6vdv:

The structure of Crystal Structure of Dehaloperoxidase B in Complex with Cofactor Manganese(III)- Porphyrin and Substrate 4-Bromophenol also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Dehaloperoxidase B in Complex with Cofactor Manganese(III)- Porphyrin and Substrate 4-Bromophenol (pdb code 6vdv). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Dehaloperoxidase B in Complex with Cofactor Manganese(III)- Porphyrin and Substrate 4-Bromophenol, PDB code: 6vdv:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 6vdv

Go back to Bromine Binding Sites List in 6vdv
Bromine binding site 1 out of 2 in the Crystal Structure of Dehaloperoxidase B in Complex with Cofactor Manganese(III)- Porphyrin and Substrate 4-Bromophenol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Dehaloperoxidase B in Complex with Cofactor Manganese(III)- Porphyrin and Substrate 4-Bromophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:30.2
occ:1.00
BR4 A:BML202 0.0 30.2 1.0
C4 A:BML202 2.0 29.0 1.0
C5 A:BML202 2.9 25.5 1.0
C3 A:BML202 2.9 20.6 1.0
CE1 A:PHE21 3.8 21.4 1.0
CD1 A:PHE21 3.8 23.5 1.0
CG1 A:VAL59 3.9 15.8 1.0
CD2 A:LEU100 3.9 15.2 1.0
C1C A:MNR201 3.9 16.9 1.0
C2C A:MNR201 4.1 18.5 1.0
NC A:MNR201 4.2 15.3 1.0
C6 A:BML202 4.2 22.7 1.0
C2 A:BML202 4.2 19.8 1.0
CHC A:MNR201 4.3 18.2 1.0
CD1 A:LEU100 4.3 16.5 1.0
C4C A:MNR201 4.4 22.7 1.0
C3C A:MNR201 4.5 21.2 1.0
CG2 A:VAL59 4.6 19.5 1.0
CZ A:PHE21 4.6 16.9 1.0
CG A:PHE21 4.6 20.1 1.0
CZ A:PHE35 4.7 27.6 1.0
CMC A:MNR201 4.7 18.5 1.0
C4B A:MNR201 4.7 12.7 1.0
CB A:VAL59 4.7 20.2 1.0
C1 A:BML202 4.7 23.7 1.0
CG A:LEU100 4.8 15.9 1.0
NB A:MNR201 4.8 12.3 1.0

Bromine binding site 2 out of 2 in 6vdv

Go back to Bromine Binding Sites List in 6vdv
Bromine binding site 2 out of 2 in the Crystal Structure of Dehaloperoxidase B in Complex with Cofactor Manganese(III)- Porphyrin and Substrate 4-Bromophenol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Dehaloperoxidase B in Complex with Cofactor Manganese(III)- Porphyrin and Substrate 4-Bromophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br202

b:31.6
occ:1.00
BR4 B:BML202 0.0 31.6 1.0
C4 B:BML202 1.9 30.0 1.0
C5 B:BML202 2.9 33.1 1.0
C3 B:BML202 2.9 21.9 1.0
CE1 B:PHE21 3.7 25.5 1.0
CD1 B:PHE21 3.7 27.6 1.0
C1C B:MNR201 3.8 20.2 1.0
CD2 B:LEU100 4.0 15.9 1.0
C2C B:MNR201 4.0 19.6 1.0
CG1 B:VAL59 4.0 17.4 1.0
CHC B:MNR201 4.0 18.5 1.0
NC B:MNR201 4.1 18.6 1.0
C6 B:BML202 4.2 28.2 1.0
C2 B:BML202 4.2 23.4 1.0
CD1 B:LEU100 4.3 16.2 1.0
C3C B:MNR201 4.4 21.4 1.0
C4C B:MNR201 4.4 19.1 1.0
CMC B:MNR201 4.5 15.4 1.0
C4B B:MNR201 4.5 15.2 1.0
CZ B:PHE21 4.6 22.6 1.0
CG B:PHE21 4.7 21.8 1.0
CZ B:PHE35 4.7 29.7 1.0
CG B:LEU100 4.7 15.3 1.0
C1 B:BML202 4.7 27.8 1.0
NB B:MNR201 4.8 13.8 1.0
CG2 B:VAL59 4.9 20.1 1.0
CB B:VAL59 4.9 21.8 1.0

Reference:

A.H.Mcguire, A.R.Petit, J.Kang, T.Malewschik, V.De Serrano, L.M.Carey, R.A.Ghiladi. Nonnative Heme Incorporation Into Multifunctional Globin Increases Peroxygenase Activity An Order and Magnitude Compared to Native Enzyme To Be Published.
Page generated: Thu Jul 11 03:01:06 2024

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