Atomistry » Chlorine » PDB 5cna-5cu2 » 5csw
Atomistry »
  Chlorine »
    PDB 5cna-5cu2 »
      5csw »

Chlorine in PDB 5csw: B-Raf in Complex with Dabrafenib

Enzymatic activity of B-Raf in Complex with Dabrafenib

All present enzymatic activity of B-Raf in Complex with Dabrafenib:
2.7.11.1;

Protein crystallography data

The structure of B-Raf in Complex with Dabrafenib, PDB code: 5csw was solved by G.Bader, H.Stadtmuller, S.Steurer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.73 / 2.66
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.359, 48.095, 101.168, 90.00, 95.32, 90.00
R / Rfree (%) 21.7 / 28.2

Other elements in 5csw:

The structure of B-Raf in Complex with Dabrafenib also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the B-Raf in Complex with Dabrafenib (pdb code 5csw). 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 B-Raf in Complex with Dabrafenib, PDB code: 5csw:

Chlorine binding site 1 out of 1 in 5csw

Go back to Chlorine Binding Sites List in 5csw
Chlorine binding site 1 out of 1 in the B-Raf in Complex with Dabrafenib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of B-Raf in Complex with Dabrafenib within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl802

b:57.7
occ:1.00
NE1 B:TRP450 3.3 24.3 1.0
CZ2 B:TRP450 3.7 24.5 1.0
CG B:ARG506 3.7 31.9 1.0
NE1 A:TRP450 3.7 33.4 1.0
CG A:ARG506 3.8 42.5 1.0
CE2 B:TRP450 3.8 24.4 1.0
CD A:ARG506 3.9 47.5 1.0
CD B:ARG506 3.9 39.3 1.0
NH1 B:ARG506 4.0 52.8 1.0
CZ2 A:TRP450 4.0 30.7 1.0
CE2 A:TRP450 4.3 33.0 1.0
O B:ARG506 4.4 22.3 1.0
CD1 B:TRP450 4.5 22.7 1.0
O A:ARG506 4.7 32.1 1.0
NE A:ARG506 4.8 53.2 1.0
NE B:ARG506 4.9 47.9 1.0
CZ B:ARG506 4.9 51.6 1.0
NE A:ARG509 4.9 34.0 1.0
CH2 B:TRP450 4.9 20.0 1.0
CD1 A:TRP450 5.0 37.7 1.0

Reference:

I.C.Waizenegger, A.Baum, S.Steurer, H.Stadtmuller, G.Bader, O.Schaaf, P.Garin-Chesa, A.Schlattl, N.Schweifer, C.Haslinger, F.Colbatzky, S.Mousa, A.Kalkuhl, N.Kraut, G.R.Adolf. A Novel Raf Kinase Inhibitor with Dfg-Out-Binding Mode: High Efficacy in Braf-Mutant Tumor Xenograft Models in the Absence of Normal Tissue Hyperproliferation. Mol.Cancer Ther. V. 15 354 2016.
ISSN: ESSN 1538-8514
PubMed: 26916115
DOI: 10.1158/1535-7163.MCT-15-0617
Page generated: Sat Dec 12 11:35:52 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