Atomistry » Bromine » PDB 7mdf-7or4 » 7olq
Atomistry »
  Bromine »
    PDB 7mdf-7or4 »
      7olq »

Bromine in PDB 7olq: Dioxygenase Asqj Mutant (V72I) in Complex with 2 and Tris

Protein crystallography data

The structure of Dioxygenase Asqj Mutant (V72I) in Complex with 2 and Tris, PDB code: 7olq was solved by D.Auman, S.L.Mader, F.Ecker, K.Dorst, A.Braeuer, G.Widmalm, M.Groll, V.R.I.Kaila, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.05
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 73.32, 121.27, 66.75, 90, 90, 90
R / Rfree (%) 20.3 / 23.8

Other elements in 7olq:

The structure of Dioxygenase Asqj Mutant (V72I) in Complex with 2 and Tris also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Dioxygenase Asqj Mutant (V72I) in Complex with 2 and Tris (pdb code 7olq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Dioxygenase Asqj Mutant (V72I) in Complex with 2 and Tris, PDB code: 7olq:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 7olq

Go back to Bromine Binding Sites List in 7olq
Bromine binding site 1 out of 2 in the Dioxygenase Asqj Mutant (V72I) in Complex with 2 and Tris


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Dioxygenase Asqj Mutant (V72I) in Complex with 2 and Tris within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br404

b:50.0
occ:1.00
OG1 A:THR172 3.2 38.0 1.0
NH2 A:ARG223 3.5 41.2 1.0
NH1 A:ARG223 3.6 41.0 1.0
CA A:GLY213 3.7 42.8 1.0
CD2 A:LEU225 3.8 47.2 1.0
C3 A:TRS403 3.9 50.1 1.0
CG2 A:THR172 4.0 37.2 1.0
CZ A:ARG223 4.0 42.0 1.0
CB A:THR172 4.1 37.2 1.0
N A:GLY213 4.3 42.7 1.0
O3 A:TRS403 4.5 52.2 1.0
CA A:THR172 4.5 37.2 1.0
CE2 A:PHE165 4.7 43.9 1.0
N A:THR172 4.9 38.9 1.0
C A:GLY213 4.9 44.6 1.0
CZ A:PHE165 5.0 43.4 1.0

Bromine binding site 2 out of 2 in 7olq

Go back to Bromine Binding Sites List in 7olq
Bromine binding site 2 out of 2 in the Dioxygenase Asqj Mutant (V72I) in Complex with 2 and Tris


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Dioxygenase Asqj Mutant (V72I) in Complex with 2 and Tris within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br405

b:49.0
occ:1.00
OG1 A:THR77 3.3 49.5 1.0
NE2 A:GLN131 3.4 39.7 1.0
N A:SER74 3.6 43.8 1.0
OG A:SER74 3.7 45.8 1.0
C22 A:58J402 3.9 41.0 1.0
ND2 A:ASN128 3.9 45.3 1.0
CD2 A:LEU73 3.9 42.4 1.0
CD2 A:LEU124 4.1 48.5 1.0
CB A:THR77 4.1 46.7 1.0
CG2 A:THR77 4.2 47.1 1.0
CB A:SER74 4.2 44.0 1.0
CA A:LEU73 4.2 42.1 1.0
CG A:GLN131 4.2 41.6 1.0
OD1 A:ASN128 4.2 46.2 1.0
CD A:GLN131 4.3 40.8 1.0
C A:LEU73 4.4 43.1 1.0
CB A:LEU73 4.5 42.4 1.0
CA A:SER74 4.5 43.2 1.0
CG A:ASN128 4.5 45.0 1.0
C13 A:58J402 4.8 42.9 1.0
CE A:MET122 4.8 49.0 1.0
CG A:LEU73 4.9 41.5 1.0

Reference:

D.Auman, F.Ecker, S.L.Mader, K.M.Dorst, A.Brauer, G.Widmalm, M.Groll, V.R.I.Kaila. Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase Asqj. J.Am.Chem.Soc. V. 144 15622 2022.
ISSN: ESSN 1520-5126
PubMed: 35980821
DOI: 10.1021/JACS.2C05650
Page generated: Tue Apr 4 17:34:21 2023

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy