Chlorine in PDB 4bc6: Crystal Structure of Human Serine Threonine Kinase-10 Bound to Novel Bosutinib Isoform 1, Previously Thought to Be Bosutinib

All present enzymatic activity of Crystal Structure of Human Serine Threonine Kinase-10 Bound to Novel Bosutinib Isoform 1, Previously Thought to Be Bosutinib:
2.7.11.1;

The structure of Crystal Structure of Human Serine Threonine Kinase-10 Bound to Novel Bosutinib Isoform 1, Previously Thought to Be Bosutinib, PDB code: 4bc6 was solved by M.Vollmar, M.Szklarz, A.Chaikuad, J.Elkins, P.Savitsky, K.A.Azeez, E.Salah, T.Krojer, P.Canning, J.R.C.Muniz, C.Bountra, C.H.Arrowsmith, F.Von Delft, J.Weigelt, A.Edwards, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.18 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	51.170, 114.030, 134.340, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.4

The binding sites of Chlorine atom in the Crystal Structure of Human Serine Threonine Kinase-10 Bound to Novel Bosutinib Isoform 1, Previously Thought to Be Bosutinib (pdb code 4bc6). 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 Human Serine Threonine Kinase-10 Bound to Novel Bosutinib Isoform 1, Previously Thought to Be Bosutinib, PDB code: 4bc6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Serine Threonine Kinase-10 Bound to Novel Bosutinib Isoform 1, Previously Thought to Be Bosutinib


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 Human Serine Threonine Kinase-10 Bound to Novel Bosutinib Isoform 1, Previously Thought to Be Bosutinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1317 b:84.2 occ:1.00 CL1 A:XZN1317 0.0 84.2 1.0 CAY A:XZN1317 1.8 81.0 1.0 CAX A:XZN1317 2.8 79.0 1.0 CAJ A:XZN1317 2.8 79.0 1.0 O02 A:XZN1317 3.0 80.1 1.0 C01 A:XZN1317 3.4 81.2 1.0 OD1 A:ASP175 3.4 0.2 1.0 CG A:ASP175 3.5 99.1 1.0 OD2 A:ASP175 3.5 0.7 1.0 O A:HOH2035 3.6 57.6 1.0 CAI A:XZN1317 4.0 77.0 1.0 CBB A:XZN1317 4.1 78.9 1.0 NZ A:LYS65 4.1 0.4 1.0 CA A:ASP175 4.4 72.7 1.0 CB A:ASP175 4.4 75.0 1.0 OE2 A:GLU81 4.4 1.0 1.0 CE A:LYS65 4.6 0.5 1.0 CAZ A:XZN1317 4.6 77.5 1.0 CD A:LYS65 4.7 0.3 1.0 N A:ASP175 4.9 70.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Serine Threonine Kinase-10 Bound to Novel Bosutinib Isoform 1, Previously Thought to Be Bosutinib


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 Human Serine Threonine Kinase-10 Bound to Novel Bosutinib Isoform 1, Previously Thought to Be Bosutinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1317 b:78.5 occ:1.00 CL2 A:XZN1317 0.0 78.5 1.0 CAI A:XZN1317 1.8 77.0 1.0 CAX A:XZN1317 2.7 79.0 1.0 CAZ A:XZN1317 2.8 77.5 1.0 O02 A:XZN1317 2.9 80.1 1.0 O A:ILE108 3.3 89.8 1.0 O A:ALA63 3.5 88.5 1.0 N A:LYS65 3.6 96.8 1.0 CD1 A:ILE110 3.6 85.8 1.0 C01 A:XZN1317 3.6 81.2 1.0 C A:ALA64 3.7 99.0 1.0 CA A:ALA64 3.7 92.4 1.0 CB A:LYS65 3.9 96.6 1.0 C A:ALA63 4.0 90.7 1.0 CAY A:XZN1317 4.0 81.0 1.0 CG1 A:ILE110 4.1 79.9 1.0 CBB A:XZN1317 4.1 78.9 1.0 CG A:LYS65 4.1 0.1 1.0 N A:ALA64 4.1 90.3 1.0 C A:ILE108 4.2 91.1 1.0 CB A:ILE110 4.3 79.2 1.0 CA A:LYS65 4.4 97.7 1.0 CG2 A:ILE108 4.4 85.1 1.0 CB A:ILE108 4.5 88.2 1.0 O A:ALA64 4.5 99.5 1.0 N A:ILE110 4.5 81.8 1.0 CAJ A:XZN1317 4.6 79.0 1.0 CD A:LYS65 4.8 0.3 1.0 CA A:ILE108 4.9 88.2 1.0

M.Vollmar, M.Szklarz, A.Chaikuad, J.Elkins, P.Savitsky, K.A.Azeez, E.Salah, T.Krojer, P.Canning, J.R.C.Muniz, C.Bountra, C.H.Arrowsmith, J.Weigelt, A.Edwards, F.Von Delft, S.Knapp. Crystal Structure of Human Serine Threonine Kinase- 10 Bound to Novel Bosutinib Isoform 1, Previously Thought to Be Bosutinib To Be Published.