Chlorine in PDB 7ba7: Cys-42-Tethered Stabilizer 9 of 14-3-3(Sigma)/Era Ppi

Protein crystallography data

The structure of Cys-42-Tethered Stabilizer 9 of 14-3-3(Sigma)/Era Ppi, PDB code: 7ba7 was solved by E.Sijbesma, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.16 / 1.45
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 81.319, 111.74, 62.135, 90, 90, 90
R / Rfree (%) 19.1 / 20.8

Other elements in 7ba7:

The structure of Cys-42-Tethered Stabilizer 9 of 14-3-3(Sigma)/Era Ppi also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Cys-42-Tethered Stabilizer 9 of 14-3-3(Sigma)/Era Ppi (pdb code 7ba7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cys-42-Tethered Stabilizer 9 of 14-3-3(Sigma)/Era Ppi, PDB code: 7ba7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7ba7

Go back to Chlorine Binding Sites List in 7ba7
Chlorine binding site 1 out of 2 in the Cys-42-Tethered Stabilizer 9 of 14-3-3(Sigma)/Era Ppi


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cys-42-Tethered Stabilizer 9 of 14-3-3(Sigma)/Era Ppi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:31.3
occ:1.00
CL A:T5W304 0.0 31.3 1.0
C4 A:T5W304 1.8 27.9 1.0
C5 A:T5W304 2.7 26.3 1.0
C3 A:T5W304 2.7 23.4 1.0
CD A:LYS122 3.5 17.2 1.0
CE A:LYS122 3.5 17.4 1.0
CA A:ILE168 3.6 15.5 1.0
O A:ILE168 3.8 15.5 1.0
C6 A:T5W304 4.0 23.1 1.0
O A:PRO167 4.0 16.8 1.0
C2 A:T5W304 4.0 25.9 1.0
CG2 A:ILE168 4.1 21.2 1.0
CA A:GLY171 4.1 16.3 1.0
NZ A:LYS122 4.2 18.7 1.0
C A:ILE168 4.2 14.7 1.0
CB A:ILE168 4.2 18.5 1.0
O A:HOH527 4.3 24.5 1.0
CE2 A:PHE119 4.3 21.1 1.0
CD2 A:PHE119 4.3 19.4 1.0
CG1 A:ILE168 4.3 21.1 1.0
N A:LEU172 4.4 13.1 1.0
C A:GLY171 4.5 14.9 1.0
N A:ILE168 4.5 17.1 1.0
C7 A:T5W304 4.5 27.4 1.0
CG2 B:VAL595 4.6 21.5 1.0
C A:PRO167 4.6 16.9 1.0
N A:GLY171 4.6 15.5 1.0
CG A:LYS122 4.9 15.3 1.0

Chlorine binding site 2 out of 2 in 7ba7

Go back to Chlorine Binding Sites List in 7ba7
Chlorine binding site 2 out of 2 in the Cys-42-Tethered Stabilizer 9 of 14-3-3(Sigma)/Era Ppi


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cys-42-Tethered Stabilizer 9 of 14-3-3(Sigma)/Era Ppi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:37.8
occ:1.00
CL1 A:T5W304 0.0 37.8 1.0
C6 A:T5W304 1.8 23.1 1.0
C7 A:T5W304 2.8 27.4 1.0
C5 A:T5W304 2.8 26.3 1.0
O B:HOH602 3.2 33.2 1.0
OXT B:VAL595 3.3 25.1 1.0
OG A:SER45 3.4 34.2 1.0
S A:T5W304 3.7 23.7 1.0
C11 A:T5W304 3.9 24.6 1.0
C4 A:T5W304 4.0 27.9 1.0
C2 A:T5W304 4.1 25.9 1.0
CG2 A:VAL46 4.2 20.6 1.0
C B:VAL595 4.5 23.1 1.0
CB A:SER45 4.5 20.3 1.0
C3 A:T5W304 4.6 23.4 1.0
O A:HOH527 4.7 24.5 1.0
CZ A:PHE119 5.0 20.8 1.0

Reference:

E.Sijbesma, K.K.Hallenbeck, S.A.Andrei, R.R.Rust, J.M.C.Adriaans, L.Brunsveld, M.R.Arkin, C.Ottmann. Exploration of A 14-3-3 Ppi Pocket By Covalent Fragments As Stabilizers. Acs Med.Chem.Lett. V. 12 976 2021.
ISSN: ISSN 1948-5875
PubMed: 34136078
DOI: 10.1021/ACSMEDCHEMLETT.1C00088
Page generated: Sat Jul 10 12:33:44 2021

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