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Chlorine in PDB 5c9c: Crystal Structure of Braf(V600E) in Complex with LY3009120 Compnd

Enzymatic activity of Crystal Structure of Braf(V600E) in Complex with LY3009120 Compnd

All present enzymatic activity of Crystal Structure of Braf(V600E) in Complex with LY3009120 Compnd:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Braf(V600E) in Complex with LY3009120 Compnd, PDB code: 5c9c was solved by T.Edwards, J.Abendroth, L.Chun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.70
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 93.880, 93.880, 165.550, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 23.8

Other elements in 5c9c:

The structure of Crystal Structure of Braf(V600E) in Complex with LY3009120 Compnd also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Braf(V600E) in Complex with LY3009120 Compnd (pdb code 5c9c). 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 Crystal Structure of Braf(V600E) in Complex with LY3009120 Compnd, PDB code: 5c9c:

Chlorine binding site 1 out of 1 in 5c9c

Go back to Chlorine Binding Sites List in 5c9c
Chlorine binding site 1 out of 1 in the Crystal Structure of Braf(V600E) in Complex with LY3009120 Compnd


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Braf(V600E) in Complex with LY3009120 Compnd within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl802

b:50.8
occ:1.00
 NH2 B:ARG505 2.3 44.7 1.0
CZ B:ARG505 3.6 45.6 1.0
NH2 A:ARG505 3.6 20.0 1.0
NE1 A:TRP449 3.6 20.1 1.0
O A:HOH1061 3.8 42.9 1.0
NE A:ARG505 4.2 20.0 1.0
NH1 B:ARG505 4.3 45.2 1.0
NE1 B:TRP449 4.3 20.2 1.0
CZ A:ARG505 4.3 20.0 1.0
CD1 A:TRP449 4.5 20.8 1.0
NE B:ARG505 4.5 42.1 1.0
CE2 A:TRP449 4.6 17.9 1.0
CZ2 B:TRP449 4.8 18.3 1.0
O A:ARG505 4.9 20.0 1.0
CZ2 A:TRP449 4.9 17.4 1.0
CE2 B:TRP449 5.0 20.0 1.0

Reference:

S.B.Peng, J.R.Henry, M.D.Kaufman, W.P.Lu, B.D.Smith, S.Vogeti, T.J.Rutkoski, S.Wise, L.Chun, Y.Zhang, R.D.Van Horn, T.Yin, X.Zhang, V.Yadav, S.H.Chen, X.Gong, X.Ma, Y.Webster, S.Buchanan, I.Mochalkin, L.Huber, L.Kays, G.P.Donoho, J.Walgren, D.Mccann, P.Patel, I.Conti, G.D.Plowman, J.J.Starling, D.L.Flynn. Inhibition of Raf Isoforms and Active Dimers By LY3009120 Leads to Anti-Tumor Activities in Ras or Braf Mutant Cancers. Cancer Cell V. 28 384 2015.
ISSN: ISSN 1535-6108
PubMed: 26343583
DOI: 10.1016/J.CCELL.2015.08.002
Page generated: Sat Dec 12 11:34:38 2020

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