Chlorine in PDB 5ajq: Human Lok (STK10) in Complex with Bosutinib

All present enzymatic activity of Human Lok (STK10) in Complex with Bosutinib:
2.7.11.1;

The structure of Human Lok (STK10) in Complex with Bosutinib, PDB code: 5ajq was solved by J.M.Elkins, E.Salah, D.M.Pinkas, T.Krojer, J.Kopec, C.Bountra, A.M.Edwards, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.51 / 2.20
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.190, 108.100, 144.270, 90.00, 90.00, 90.00
R / Rfree (%)	21.679 / 25.723

The binding sites of Chlorine atom in the Human Lok (STK10) in Complex with Bosutinib (pdb code 5ajq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Human Lok (STK10) in Complex with Bosutinib, PDB code: 5ajq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Human Lok (STK10) in Complex with Bosutinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Lok (STK10) in Complex with Bosutinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl800 b:53.5 occ:1.00 CL1 A:DB8800 0.0 53.5 1.0 CAY A:DB8800 1.7 41.8 1.0 CAI A:DB8800 2.7 41.2 1.0 CAX A:DB8800 2.7 41.3 1.0 O02 A:DB8800 2.9 45.4 1.0 O A:HOH2027 3.9 42.6 1.0 CG1 A:VAL178 3.9 63.2 1.0 CAZ A:DB8800 4.0 38.9 1.0 OD2 A:ASP175 4.0 47.3 1.0 CAJ A:DB8800 4.0 39.1 1.0 CB A:VAL178 4.0 60.3 1.0 CD A:LYS65 4.0 68.7 1.0 OG A:SER179 4.2 65.7 1.0 C01 A:DB8800 4.3 49.2 1.0 CG A:LYS65 4.3 67.3 1.0 CA A:ASP175 4.3 43.2 1.0 CBB A:DB8800 4.5 38.0 1.0 NZ A:LYS65 4.6 68.6 1.0 CG A:ASP175 4.7 54.6 1.0 CB A:LYS65 4.7 70.1 1.0 O A:ASP175 4.7 44.2 1.0 CB A:ASP175 4.8 50.6 1.0 CG2 A:VAL178 4.8 63.3 1.0 N A:SER179 4.9 60.3 1.0 CE A:LYS65 4.9 69.8 1.0

Chlorine binding site 2 out of 5 in the Human Lok (STK10) in Complex with Bosutinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Lok (STK10) in Complex with Bosutinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl800 b:45.0 occ:1.00 CL2 A:DB8800 0.0 45.0 1.0 CAZ A:DB8800 1.7 38.9 1.0 CAI A:DB8800 2.7 41.2 1.0 CBB A:DB8800 2.7 38.0 1.0 NAU A:DB8800 3.0 39.9 1.0 O A:HOH2056 3.2 48.9 1.0 OD1 A:ASN162 3.6 43.5 1.0 O A:HOH2024 3.8 42.3 1.0 O A:GLY161 3.9 37.9 1.0 CAY A:DB8800 4.0 41.8 1.0 CAJ A:DB8800 4.0 39.1 1.0 CB A:ALA174 4.2 39.5 1.0 CBE A:DB8800 4.2 38.2 1.0 O A:HOH2025 4.2 55.6 1.0 CB A:ASP175 4.4 50.6 1.0 CD2 A:LEU164 4.4 47.6 1.0 CAX A:DB8800 4.5 41.3 1.0 O A:HOH2001 4.5 52.9 1.0 CAG A:DB8800 4.5 37.0 1.0 CG A:ASN162 4.6 40.0 1.0 CD1 A:LEU164 4.6 47.1 1.0 NAD A:DB8800 4.6 38.3 1.0 CA A:ASN162 4.6 36.1 1.0 OD2 A:ASP175 4.7 47.3 1.0 CBA A:DB8800 4.8 36.7 1.0 CG A:LEU164 4.9 44.3 1.0 C A:GLY161 4.9 37.8 1.0

Chlorine binding site 3 out of 5 in the Human Lok (STK10) in Complex with Bosutinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Lok (STK10) in Complex with Bosutinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1313 b:56.9 occ:1.00 NH2 A:ARG244 3.1 57.6 1.0 CD A:LYS248 3.6 61.0 1.0 CA A:LYS248 3.6 39.8 1.0 N A:LYS248 3.8 36.7 1.0 CD A:LYS251 3.8 63.8 1.0 NE A:ARG244 3.9 62.0 1.0 CZ A:ARG244 4.0 61.1 1.0 C A:LEU247 4.0 38.9 1.0 O A:LEU247 4.1 38.1 1.0 CB A:LYS248 4.1 47.4 1.0 CB A:LEU247 4.3 41.9 1.0 CE A:LYS251 4.4 68.8 1.0 CG A:LYS248 4.5 57.6 1.0 CG A:LYS251 4.6 57.3 1.0 CB A:LYS251 4.7 49.6 1.0 CE A:LYS248 4.8 67.8 1.0 O A:ARG244 4.8 41.2 1.0 CA A:LEU247 4.9 39.7 1.0 NZ A:LYS248 4.9 75.1 1.0 C A:LYS248 4.9 42.1 1.0

Chlorine binding site 4 out of 5 in the Human Lok (STK10) in Complex with Bosutinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Lok (STK10) in Complex with Bosutinib within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl800 b:0.8 occ:1.00 CL1 B:DB8800 0.0 0.8 1.0 CAY B:DB8800 1.7 93.3 1.0 CAI B:DB8800 2.7 91.6 1.0 CAX B:DB8800 2.7 93.5 1.0 O02 B:DB8800 2.9 92.6 1.0 CAZ B:DB8800 4.0 86.7 1.0 CAJ B:DB8800 4.0 93.2 1.0 C01 B:DB8800 4.2 94.0 1.0 OD1 B:ASP175 4.3 81.1 1.0 CA B:ASP175 4.5 77.3 1.0 CBB B:DB8800 4.5 90.3 1.0 O B:ASP175 4.6 0.7 1.0 OE1 B:GLU81 4.7 0.2 1.0

Chlorine binding site 5 out of 5 in the Human Lok (STK10) in Complex with Bosutinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Human Lok (STK10) in Complex with Bosutinib within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl800 b:85.4 occ:1.00 CL2 B:DB8800 0.0 85.4 1.0 CAZ B:DB8800 1.7 86.7 1.0 CAI B:DB8800 2.7 91.6 1.0 CBB B:DB8800 2.7 90.3 1.0 NAU B:DB8800 3.0 89.8 1.0 CAY B:DB8800 4.0 93.3 1.0 CB B:ALA174 4.0 62.7 1.0 CBE B:DB8800 4.0 92.0 1.0 CAJ B:DB8800 4.0 93.2 1.0 OD1 B:ASN162 4.2 61.4 1.0 CAG B:DB8800 4.2 74.5 1.0 CB B:ASP175 4.3 79.1 1.0 NAD B:DB8800 4.3 72.9 1.0 CBA B:DB8800 4.5 82.9 1.0 CAX B:DB8800 4.5 93.5 1.0 CD1 B:LEU164 4.5 69.1 1.0 O B:GLY161 4.6 57.7 1.0 CD2 B:LEU164 4.7 63.3 1.0 OD1 B:ASP175 4.7 81.1 1.0 N B:ASP175 4.7 74.7 1.0 CA B:ASP175 4.8 77.3 1.0 CG B:ASP175 5.0 83.3 1.0 CBG B:DB8800 5.0 95.2 1.0 CG B:LEU164 5.0 66.0 1.0

J.M.Elkins, E.Salah, S.Knapp. STK10 with Bosutinib To Be Published.