Chlorine in PDB 7shv: Crystal Structure of Braf Kinase Domain Bound to GDC0879

All present enzymatic activity of Crystal Structure of Braf Kinase Domain Bound to GDC0879:
2.7.11.1;

The structure of Crystal Structure of Braf Kinase Domain Bound to GDC0879, PDB code: 7shv was solved by J.E.Kung, J.Sudhamsu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.78 / 2.88
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.638, 98.638, 159.136, 90, 90, 90
R / Rfree (%)	22 / 24.2

The binding sites of Chlorine atom in the Crystal Structure of Braf Kinase Domain Bound to GDC0879 (pdb code 7shv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Braf Kinase Domain Bound to GDC0879, PDB code: 7shv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Braf Kinase Domain Bound to GDC0879


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 Kinase Domain Bound to GDC0879 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:75.0 occ:1.00 NE B:ARG509 3.2 66.1 1.0 NH2 B:ARG509 3.3 63.7 1.0 CZ2 B:TRP450 3.4 62.4 1.0 NE1 A:TRP450 3.4 69.4 1.0 CZ2 A:TRP450 3.5 67.7 1.0 O A:ARG506 3.5 62.7 1.0 NH2 A:ARG509 3.6 62.6 1.0 NE1 B:TRP450 3.7 71.3 1.0 NE A:ARG509 3.7 60.5 1.0 CZ B:ARG509 3.7 65.4 1.0 CE2 A:TRP450 3.7 71.8 1.0 CE2 B:TRP450 3.8 60.0 1.0 O B:ARG506 4.1 71.4 1.0 CZ A:ARG509 4.1 65.1 1.0 CD B:ARG509 4.4 61.1 1.0 CH2 B:TRP450 4.5 60.0 1.0 C A:ARG506 4.6 64.1 1.0 CD1 A:TRP450 4.6 65.9 1.0 CH2 A:TRP450 4.7 65.3 1.0 CD A:ARG509 4.8 60.1 1.0 CA A:ARG506 4.9 63.6 1.0 CD1 B:TRP450 4.9 81.3 1.0 CB A:ARG506 4.9 62.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Braf Kinase Domain Bound to GDC0879


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Braf Kinase Domain Bound to GDC0879 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:89.2 occ:1.00 OG B:SER634 2.5 64.0 1.0 O B:PRO632 2.8 73.5 1.0 OE2 B:GLU623 3.0 71.5 1.0 CB B:SER634 3.3 68.4 1.0 NE B:ARG701 3.4 85.2 1.0 CB B:SER637 3.5 57.8 1.0 CG B:GLU623 3.6 67.8 1.0 N B:SER634 3.6 68.8 1.0 N B:SER637 3.7 56.4 1.0 CD B:GLU623 3.7 69.5 1.0 C B:PRO632 3.8 81.7 1.0 C B:TYR633 3.8 67.0 1.0 NH2 B:ARG701 3.9 91.0 1.0 CA B:SER637 3.9 48.3 1.0 CA B:SER634 4.1 64.1 1.0 CZ B:ARG701 4.1 92.0 1.0 CA B:TYR633 4.1 63.5 1.0 CG B:ARG701 4.1 68.5 1.0 CD B:ARG701 4.3 73.8 1.0 OG B:SER637 4.4 67.5 1.0 N B:TYR633 4.4 80.4 1.0 O B:TYR633 4.4 75.5 1.0 C B:GLN636 4.4 57.5 1.0 NH2 B:ARG704 4.5 65.3 1.0 O B:SER634 4.6 59.4 1.0 CG2 B:VAL624 4.6 58.7 1.0 CB B:ARG701 4.6 67.8 1.0 C B:SER634 4.7 62.8 1.0 CB B:GLN636 4.8 66.6 1.0 O B:ASN631 4.9 106.7 1.0 OE1 B:GLU623 5.0 72.0 1.0 CA B:PRO632 5.0 83.5 1.0

X.Chen, T.Wendorff, C.Jao, J.E.Kung, N.P.D.Liau, P.Wu, C.Yu, A.Oh, G.Boenig, H.Wallweber, C.Everett, A.Miu, B.Brillantes, K.Mortara, J.Murray, C.M.Koth, J.Sudhamsu. Clearing the Path to Rapid High-Quality Protein Purification To Be Published.