Chlorine in PDB 7olt: Dioxygenase Asqj in Complex with 2 and Tris

Protein crystallography data

The structure of Dioxygenase Asqj in Complex with 2 and Tris, PDB code: 7olt 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) 15.00 / 1.50
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 72.62, 120.75, 67.29, 90, 90, 90
R / Rfree (%) 14.1 / 18.3

Other elements in 7olt:

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

Bromine (Br) 2 atoms
Potassium (K) 1 atom
Nickel (Ni) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Dioxygenase Asqj in Complex with 2 and Tris (pdb code 7olt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Dioxygenase Asqj in Complex with 2 and Tris, PDB code: 7olt:

Chlorine binding site 1 out of 1 in 7olt

Go back to Chlorine Binding Sites List in 7olt
Chlorine binding site 1 out of 1 in the Dioxygenase Asqj in Complex with 2 and Tris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dioxygenase Asqj in Complex with 2 and Tris within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:36.4
occ:1.00
N A:LYS64 3.3 28.4 1.0
CA A:ALA63 3.8 26.6 1.0
CG A:LYS64 3.8 43.3 1.0
CB A:LYS64 4.0 37.0 1.0
CD1 A:ILE60 4.0 29.9 1.0
C A:ALA63 4.0 27.1 1.0
CD A:LYS64 4.2 49.2 1.0
CA A:LYS64 4.3 32.1 1.0
CB A:ALA63 4.3 26.4 1.0
CG1 A:ILE60 4.4 26.9 1.0
CE A:LYS64 4.7 54.1 1.0
O A:HOH554 5.0 38.9 1.0
N A:ALA63 5.0 23.3 1.0
O A:ALA62 5.0 25.1 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 21:02:41 2023

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