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Chlorine in PDB 3c4c: B-Raf Kinase in Complex with PLX4720

Enzymatic activity of B-Raf Kinase in Complex with PLX4720

All present enzymatic activity of B-Raf Kinase in Complex with PLX4720:
2.7.11.1;

Protein crystallography data

The structure of B-Raf Kinase in Complex with PLX4720, PDB code: 3c4c was solved by K.Y.J.Zhang, W.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.57
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.574, 105.502, 110.150, 90.00, 90.00, 90.00
R / Rfree (%) 25.9 / 30.3

Other elements in 3c4c:

The structure of B-Raf Kinase in Complex with PLX4720 also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the B-Raf Kinase in Complex with PLX4720 (pdb code 3c4c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the B-Raf Kinase in Complex with PLX4720, PDB code: 3c4c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3c4c

Go back to Chlorine Binding Sites List in 3c4c
Chlorine binding site 1 out of 2 in the B-Raf Kinase in Complex with PLX4720


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of B-Raf Kinase in Complex with PLX4720 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2

b:22.1
occ:1.00
CL10 A:3242 0.0 22.1 1.0
C6 A:3242 1.7 24.1 1.0
C5 A:3242 2.7 24.1 1.0
C1 A:3242 2.8 24.3 1.0
CG2 A:ILE463 3.7 26.1 1.0
CH2 A:TRP531 3.9 26.9 1.0
N4 A:3242 3.9 24.1 1.0
C2 A:3242 4.0 24.8 1.0
CZ3 A:TRP531 4.4 26.3 1.0
C3 A:3242 4.5 24.4 1.0
CZ2 A:TRP531 4.5 28.3 1.0
CB A:ILE463 4.7 26.3 1.0
CG1 A:ILE463 4.8 26.7 1.0

Chlorine binding site 2 out of 2 in 3c4c

Go back to Chlorine Binding Sites List in 3c4c
Chlorine binding site 2 out of 2 in the B-Raf Kinase in Complex with PLX4720


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of B-Raf Kinase in Complex with PLX4720 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl3

b:29.1
occ:0.60
CL10 B:3243 0.0 29.1 0.6
C6 B:3243 1.7 26.7 0.6
C1 B:3243 2.6 26.6 0.6
C5 B:3243 2.7 26.4 0.6
CG2 B:ILE463 3.3 27.2 1.0
CZ B:PHE583 3.5 26.8 1.0
C2 B:3243 3.9 26.0 0.6
N4 B:3243 4.0 25.8 0.6
CB B:ILE463 4.1 27.0 1.0
CE1 B:PHE583 4.2 26.8 1.0
C3 B:3243 4.4 25.9 0.6
CG1 B:ILE463 4.4 27.0 1.0
CE2 B:PHE583 4.6 26.8 1.0
CD1 B:ILE463 4.9 26.4 1.0

Reference:

J.Tsai, J.T.Lee, W.Wang, J.Zhang, H.Cho, S.Mamo, R.Bremer, S.Gillette, J.Kong, N.K.Haass, K.Sproesser, L.Li, K.S.Smalley, D.Fong, Y.L.Zhu, A.Marimuthu, H.Nguyen, B.Lam, J.Liu, I.Cheung, J.Rice, Y.Suzuki, C.Luu, C.Settachatgul, R.Shellooe, J.Cantwell, S.H.Kim, J.Schlessinger, K.Y.Zhang, B.L.West, B.Powell, G.Habets, C.Zhang, P.N.Ibrahim, P.Hirth, D.R.Artis, M.Herlyn, G.Bollag. Discovery of A Selective Inhibitor of Oncogenic B-Raf Kinase with Potent Antimelanoma Activity Proc.Natl.Acad.Sci.Usa V. 105 3041 2008.
ISSN: ISSN 0027-8424
PubMed: 18287029
DOI: 10.1073/PNAS.0711741105
Page generated: Fri Jul 11 03:36:52 2025

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