Chlorine in PDB 6rk8: Fragment Az-014 Binding at the P53PT387/14-3-3 Sigma Interface

Protein crystallography data

The structure of Fragment Az-014 Binding at the P53PT387/14-3-3 Sigma Interface, PDB code: 6rk8 was solved by S.Genet, M.Wolter, X.Guillory, B.Somsen, S.Leysen, J.Patel, P.Castaldi, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.03 / 1.60
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 82.264, 112.131, 62.878, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 22.9

Other elements in 6rk8:

The structure of Fragment Az-014 Binding at the P53PT387/14-3-3 Sigma Interface also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Fragment Az-014 Binding at the P53PT387/14-3-3 Sigma Interface (pdb code 6rk8). 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 Fragment Az-014 Binding at the P53PT387/14-3-3 Sigma Interface, PDB code: 6rk8:

Chlorine binding site 1 out of 1 in 6rk8

Go back to Chlorine Binding Sites List in 6rk8
Chlorine binding site 1 out of 1 in the Fragment Az-014 Binding at the P53PT387/14-3-3 Sigma Interface


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fragment Az-014 Binding at the P53PT387/14-3-3 Sigma Interface within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:20.0
occ:1.00
O A:HOH494 2.9 29.5 1.0
HA A:TYR84 3.1 15.0 1.0
HD2 A:LYS87 3.2 28.7 1.0
HD1 A:TYR84 3.3 11.8 1.0
HB2 A:LYS87 3.4 19.3 1.0
HB3 A:GLU83 3.7 16.8 1.0
HD3 A:LYS87 3.7 28.7 1.0
HB2 A:TYR84 3.8 15.2 1.0
CA A:TYR84 3.9 12.5 1.0
CD A:LYS87 3.9 23.9 1.0
O A:GLU83 3.9 13.7 1.0
HB3 A:LYS87 4.0 19.3 1.0
C A:GLU83 4.1 12.8 1.0
CD1 A:TYR84 4.1 9.8 1.0
N A:TYR84 4.1 10.2 1.0
CB A:LYS87 4.1 16.1 1.0
CB A:TYR84 4.2 12.6 1.0
CB A:GLU83 4.5 14.0 1.0
O A:HOH402 4.5 24.1 1.0
HB2 A:GLU83 4.5 16.8 1.0
HZ2 A:LYS87 4.6 39.8 1.0
CG A:LYS87 4.6 19.5 1.0
H A:TYR84 4.6 12.2 1.0
CG A:TYR84 4.6 11.8 1.0
HZ3 A:LYS87 4.7 39.8 1.0
HG3 A:LYS87 4.9 23.4 1.0
CA A:GLU83 4.9 13.9 1.0
NZ A:LYS87 5.0 33.1 1.0
H A:LYS87 5.0 13.6 1.0

Reference:

X.Guillory, M.Wolter, S.Leysen, J.F.Neves, A.Kuusk, S.Genet, B.Somsen, J.Morrow, E.Rivers, L.Van Beek, J.Patel, R.Goodnow, H.Schoenherr, N.Fuller, Q.Cao, R.G.Doveston, L.Brunsveld, M.R.Arkin, M.P.Castaldi, H.Boyd, I.Landrieu, H.Chen, C.Ottmann. Fragment-Based Differential Targeting of Ppi Stabilizer Interfaces. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32501690
DOI: 10.1021/ACS.JMEDCHEM.9B01942
Page generated: Sat Dec 12 13:36:44 2020

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