Chlorine in PDB 4yht: Braf Complexed with An Inhibitor

All present enzymatic activity of Braf Complexed with An Inhibitor:
2.7.11.1;

The structure of Braf Complexed with An Inhibitor, PDB code: 4yht was solved by L.M.Shewchuk, B.G.Lawhorn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.05
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.783, 99.783, 161.504, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 23.3

The binding sites of Chlorine atom in the Braf Complexed with An Inhibitor (pdb code 4yht). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Braf Complexed with An Inhibitor, PDB code: 4yht:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Braf Complexed with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Braf Complexed with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:45.4 occ:1.00 CL A:4EF1002 0.0 45.4 1.0 C4 A:4EF1002 1.7 40.6 1.0 C3 A:4EF1002 2.7 40.0 1.0 C1 A:4EF1002 2.8 39.2 1.0 N2 A:4EF1002 3.2 37.8 1.0 CE2 A:PHE582 3.3 38.5 1.0 C12 A:4EF1002 3.4 37.6 1.0 CD2 A:PHE582 3.6 37.5 1.0 O A:HOH1123 3.7 25.3 1.0 C16 A:4EF1002 3.8 44.2 1.0 N1 A:4EF1002 3.9 39.2 1.0 C2 A:4EF1002 3.9 39.2 1.0 N6 A:4EF1002 4.0 40.7 1.0 CG2 A:ILE462 4.1 65.9 1.0 C14 A:4EF1002 4.1 43.1 1.0 C17 A:4EF1002 4.4 42.7 1.0 CZ A:PHE582 4.4 37.6 1.0 C8 A:4EF1002 4.5 38.1 1.0 O3 A:4EF1002 4.6 43.6 1.0 N A:SER535 4.6 45.6 1.0 CB A:SER535 4.6 41.8 1.0 C15 A:4EF1002 4.7 41.2 1.0 N4 A:4EF1002 4.7 37.1 1.0 C9 A:4EF1002 4.8 38.7 1.0 CG A:PHE582 4.8 36.5 1.0

Chlorine binding site 2 out of 2 in the Braf Complexed with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Braf Complexed with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:36.9 occ:1.00 CL B:4EF802 0.0 36.9 1.0 C4 B:4EF802 1.7 33.5 1.0 C1 B:4EF802 2.7 32.0 1.0 C3 B:4EF802 2.8 33.6 1.0 N2 B:4EF802 3.1 29.3 1.0 C12 B:4EF802 3.3 30.2 1.0 CE2 B:PHE582 3.4 32.2 1.0 C16 B:4EF802 3.7 32.9 1.0 CD2 B:PHE582 3.8 33.2 1.0 N6 B:4EF802 3.8 30.0 1.0 C2 B:4EF802 3.9 32.5 1.0 N1 B:4EF802 3.9 33.2 1.0 CG2 B:ILE462 3.9 43.1 1.0 C14 B:4EF802 4.0 31.9 1.0 C17 B:4EF802 4.3 30.8 1.0 C8 B:4EF802 4.4 28.8 1.0 CZ B:PHE582 4.4 32.2 1.0 O3 B:4EF802 4.5 32.0 1.0 C15 B:4EF802 4.6 30.0 1.0 C9 B:4EF802 4.6 28.9 1.0 N4 B:4EF802 4.7 30.3 1.0 N B:SER535 4.9 35.7 1.0 CB B:SER535 4.9 32.3 1.0 CG B:PHE582 4.9 34.0 1.0

B.G.Lawhorn, J.Philp, A.P.Graves, L.Shewchuk, D.A.Holt, G.J.Gatto, L.S.Kallander. GSK114: A Selective Inhibitor For Elucidating the Biological Role of TNNI3K. Bioorg.Med.Chem.Lett. V. 26 3355 2016.
ISSN: ESSN 1464-3405
PubMed: 27246618
DOI: 10.1016/J.BMCL.2016.05.033