Atomistry » Bromine » PDB 6tu4-6vrk » 6vdv
Atomistry »
  Bromine »
    PDB 6tu4-6vrk »
      6vdv »

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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy