Chlorine in PDB 7qgp: STK10 (Lok) Bound to Macrocycle CKJB51

All present enzymatic activity of STK10 (Lok) Bound to Macrocycle CKJB51:
2.7.11.1;

The structure of STK10 (Lok) Bound to Macrocycle CKJB51, PDB code: 7qgp was solved by B.-T.Berger, M.Schroeder, A.Kraemer, M.P.Schwalm, C.G.Kurz, J.A.Amrhein, T.Hanke, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.18 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.312, 61.839, 56.808, 90, 102.79, 90
R / Rfree (%)	20 / 23.7

The binding sites of Chlorine atom in the STK10 (Lok) Bound to Macrocycle CKJB51 (pdb code 7qgp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the STK10 (Lok) Bound to Macrocycle CKJB51, PDB code: 7qgp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the STK10 (Lok) Bound to Macrocycle CKJB51


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of STK10 (Lok) Bound to Macrocycle CKJB51 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:47.6 occ:1.00 CL A:DJ8401 0.0 47.6 1.0 C3 A:DJ8401 1.7 41.5 1.0 C4 A:DJ8401 2.7 39.8 1.0 C2 A:DJ8401 2.7 40.4 1.0 CB A:TYR78 3.4 56.5 1.0 CD1 A:ILE67 3.5 49.6 1.0 CD1 A:TYR78 3.5 57.0 1.0 CG A:TYR78 3.6 57.4 1.0 CG A:GLU81 3.8 46.2 1.0 CA A:TYR78 3.8 55.0 1.0 CD2 A:PHE47 3.9 47.3 1.0 C5 A:DJ8401 4.0 37.2 1.0 C1 A:DJ8401 4.0 38.1 1.0 CE2 A:PHE47 4.0 50.6 1.0 O A:TYR78 4.1 50.1 1.0 CB A:GLU81 4.2 44.0 1.0 CD1 A:ILE108 4.5 39.9 1.0 ND2 A:ASN182 4.5 50.0 1.0 CE1 A:TYR78 4.5 57.5 1.0 C6 A:DJ8401 4.5 35.8 1.0 C A:TYR78 4.5 53.4 1.0 CG A:PHE47 4.6 46.0 1.0 CD2 A:TYR78 4.6 59.4 1.0 CZ A:PHE47 4.8 51.4 1.0 CG1 A:ILE67 4.9 50.0 1.0

Chlorine binding site 2 out of 2 in the STK10 (Lok) Bound to Macrocycle CKJB51


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of STK10 (Lok) Bound to Macrocycle CKJB51 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:32.9 occ:1.00 NZ A:LYS65 3.1 37.0 1.0 N A:DJ8401 3.2 32.3 1.0 N A:PHE47 3.4 41.4 1.0 CA A:GLY45 3.4 35.5 1.0 N1 A:DJ8401 3.5 30.2 1.0 N A:ALA46 3.5 38.8 1.0 OD1 A:ASP175 3.5 29.8 1.0 CE A:LYS65 3.7 37.5 1.0 C A:GLY45 3.7 37.4 1.0 O A:GLY48 3.8 37.8 1.0 C8 A:DJ8401 3.9 30.6 1.0 CD A:LYS65 3.9 36.7 1.0 C A:PHE47 3.9 42.6 1.0 CA A:PHE47 4.0 42.8 1.0 CG2 A:VAL50 4.0 31.0 1.0 N A:GLY45 4.1 35.8 1.0 CB A:PHE47 4.1 43.2 1.0 O A:PHE47 4.2 43.6 1.0 C7 A:DJ8401 4.3 33.1 1.0 N A:GLY48 4.3 41.4 1.0 C5 A:DJ8401 4.4 37.2 1.0 C A:ALA46 4.4 42.1 1.0 CG A:ASP175 4.4 28.3 1.0 C6 A:DJ8401 4.5 35.8 1.0 O1 A:DJ8401 4.5 28.4 1.0 CA A:ALA46 4.5 40.6 1.0 O A:GLY45 4.5 37.2 1.0 C9 A:DJ8401 4.7 29.2 1.0 C A:GLY48 4.7 39.2 1.0 OD2 A:ASP175 5.0 27.4 1.0

M.Schroeder, B.T.Berger, A.Kraemer, C.G.Kurz, J.A.Amrhein, T.Hanke, S.Knapp, Structural Genomics Consortium (Sgc). STK10 Bound to CKJB51 To Be Published.