Atomistry » Bromine » PDB 4z8b-5c9e » 5aba
Atomistry »
  Bromine »
    PDB 4z8b-5c9e »
      5aba »

Bromine in PDB 5aba: Structure of the P53 Cancer Mutant Y220C with Bound Small-Molecule Stabilizer PHIKAN5149

Protein crystallography data

The structure of Structure of the P53 Cancer Mutant Y220C with Bound Small-Molecule Stabilizer PHIKAN5149, PDB code: 5aba was solved by A.C.Joerger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.44 / 1.62
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 64.893, 71.114, 104.939, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 20.3

Other elements in 5aba:

The structure of Structure of the P53 Cancer Mutant Y220C with Bound Small-Molecule Stabilizer PHIKAN5149 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Zinc (Zn) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Structure of the P53 Cancer Mutant Y220C with Bound Small-Molecule Stabilizer PHIKAN5149 (pdb code 5aba). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of the P53 Cancer Mutant Y220C with Bound Small-Molecule Stabilizer PHIKAN5149, PDB code: 5aba:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 5aba

Go back to Bromine Binding Sites List in 5aba
Bromine binding site 1 out of 2 in the Structure of the P53 Cancer Mutant Y220C with Bound Small-Molecule Stabilizer PHIKAN5149


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the P53 Cancer Mutant Y220C with Bound Small-Molecule Stabilizer PHIKAN5149 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1291

b:22.0
occ:1.00
BR A:UL71291 0.0 22.0 1.0
C4 A:UL71291 1.9 11.3 1.0
C02 A:UL71291 2.8 15.6 1.0
C7 A:UL71291 2.9 18.0 1.0
O A:LEU145 3.0 9.6 1.0
O1 A:UL71291 3.1 16.4 1.0
O A:HOH2081 3.6 14.2 1.0
C A:LEU145 3.7 8.0 1.0
N A:THR230 3.8 9.3 1.0
CG2 A:VAL147 3.8 12.0 1.0
OG1 A:THR230 3.9 12.8 1.0
CB A:THR230 4.0 9.6 1.0
C01 A:UL71291 4.2 16.5 1.0
C1 A:UL71291 4.2 20.0 1.0
N A:VAL147 4.2 9.4 1.0
CA A:TRP146 4.3 9.3 1.0
CB A:LEU145 4.3 10.4 1.0
N A:TRP146 4.3 8.0 1.0
CA A:CYS229 4.3 12.6 1.0
C A:CYS229 4.4 11.2 1.0
C A:TRP146 4.4 11.1 1.0
CG1 A:VAL147 4.5 9.8 1.0
CG A:PRO223 4.5 16.4 1.0
CA A:THR230 4.6 9.9 1.0
CD A:PRO223 4.6 12.5 1.0
CA A:LEU145 4.6 9.0 1.0
CB A:VAL147 4.6 9.1 1.0
C3 A:UL71291 4.7 20.3 1.0
CB A:CYS229 4.9 12.2 1.0
O A:GLU221 4.9 14.3 1.0

Bromine binding site 2 out of 2 in 5aba

Go back to Bromine Binding Sites List in 5aba
Bromine binding site 2 out of 2 in the Structure of the P53 Cancer Mutant Y220C with Bound Small-Molecule Stabilizer PHIKAN5149


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of the P53 Cancer Mutant Y220C with Bound Small-Molecule Stabilizer PHIKAN5149 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1291

b:24.5
occ:1.00
BR B:UL71291 0.0 24.5 1.0
C4 B:UL71291 1.9 15.3 1.0
C02 B:UL71291 2.8 19.2 1.0
C7 B:UL71291 2.9 20.4 1.0
O B:LEU145 2.9 11.9 1.0
O1 B:UL71291 3.1 19.5 1.0
O B:HOH2084 3.6 14.4 1.0
C B:LEU145 3.7 11.6 1.0
N B:THR230 3.7 11.6 1.0
OG1 B:THR230 3.8 17.0 1.0
CG2 B:VAL147 3.9 11.6 1.0
CB B:THR230 4.1 12.3 1.0
N B:VAL147 4.1 10.7 1.0
C01 B:UL71291 4.2 19.6 1.0
C1 B:UL71291 4.2 19.7 1.0
CA B:TRP146 4.2 7.5 1.0
CB B:LEU145 4.2 9.2 1.0
CA B:CYS229 4.2 13.1 1.0
N B:TRP146 4.3 8.5 1.0
C B:CYS229 4.4 13.8 1.0
C B:TRP146 4.4 10.5 1.0
CG B:PRO223 4.5 15.8 1.0
CG1 B:VAL147 4.5 11.9 1.0
CA B:THR230 4.5 11.4 1.0
CA B:LEU145 4.6 9.1 1.0
C3 B:UL71291 4.7 16.8 1.0
CB B:VAL147 4.7 11.1 1.0
CD B:PRO223 4.7 14.7 1.0
CB B:CYS229 4.8 11.3 1.0

Reference:

A.C.Joerger, M.R.Bauer, R.Wilcken, M.G.J.Baud, H.Harbrecht, T.E.Exner, F.M.Boeckler, J.Spencer, A.R.Fersht. Exploiting Transient Protein States For the Design of Small-Molecule Stabilizers of Mutant P53. Structure V. 23 2246 2015.
ISSN: ISSN 0969-2126
PubMed: 26636255
DOI: 10.1016/J.STR.2015.10.016
Page generated: Sat Dec 12 02:24:41 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy