Bromine in PDB 7bfw: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068A

Enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068A

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068A:
5.2.1.8;

Protein crystallography data

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068A, PDB code: 7bfw was solved by M.Wolter, L.V.Dijck, P.J.Cossar, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.99 / 1.80
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 81.97, 112.536, 62.657, 90, 90, 90
R / Rfree (%) 19.4 / 24.3

Other elements in 7bfw:

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068A also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Fluorine (F) 2 atoms
Calcium (Ca) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068A (pdb code 7bfw). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068A, PDB code: 7bfw:

Bromine binding site 1 out of 1 in 7bfw

Go back to Bromine Binding Sites List in 7bfw
Bromine binding site 1 out of 1 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound PC2068A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:11.9
occ:1.00
 BR1 A:TKH301 0.0 11.9 1.0
C06 A:TKH301 1.9 8.6 1.0
C03 A:TKH301 2.8 10.6 1.0
C08 A:TKH301 2.9 7.2 1.0
C02 A:TKH301 3.0 14.8 1.0
OG A:SER45 3.2 9.5 1.0
O A:HOH531 3.4 19.8 1.0
O A:HOH522 3.5 17.7 1.0
CE2 A:PHE119 3.6 9.5 1.0
NE1 P:TRP73 3.6 22.1 1.0
CZ A:PHE119 3.7 4.7 1.0
O A:HOH449 3.7 18.8 1.0
CB A:SER45 3.8 5.7 1.0
CD1 P:TRP73 4.0 12.5 1.0
O A:HOH586 4.0 6.4 1.0
OD1 A:ASN42 4.0 20.8 1.0
C04 A:TKH301 4.1 7.2 1.0
C09 A:TKH301 4.2 12.6 1.0
NZ A:LYS122 4.4 47.2 1.0
CE2 P:TRP73 4.5 21.3 1.0
O A:HOH549 4.6 7.3 1.0
CD2 A:PHE119 4.6 6.1 1.0
CD1 A:ILE168 4.7 7.7 1.0
C05 A:TKH301 4.7 8.1 1.0
CE1 A:PHE119 4.8 7.0 1.0

Reference:

P.J.Cossar, M.Wolter, L.Van Dijck, D.Valenti, L.M.Levy, C.Ottmann, L.Brunsveld. Reversible Covalent Imine-Tethering For Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
PubMed: 34047554
DOI: 10.1021/JACS.1C03035
Page generated: Sat Jul 10 09:55:23 2021

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