Chlorine in PDB 6cd6: Crystal Structure of the Human CAMKK1A in Complex with GSK650394

All present enzymatic activity of Crystal Structure of the Human CAMKK1A in Complex with GSK650394:
2.7.11.17;

The structure of Crystal Structure of the Human CAMKK1A in Complex with GSK650394, PDB code: 6cd6 was solved by A.S.Santiago, R.M.Counago, G.L.Righetto, P.Z.Ramos, P.N.B.Silva, D.Drewry, J.M.Elkins, K.B.Massirer, P.Arruda, A.M.Edwards, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.378, 96.042, 141.260, 90.00, 90.03, 90.00
R / Rfree (%)	23.2 / 28.5

The binding sites of Chlorine atom in the Crystal Structure of the Human CAMKK1A in Complex with GSK650394 (pdb code 6cd6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Human CAMKK1A in Complex with GSK650394, PDB code: 6cd6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Human CAMKK1A in Complex with GSK650394


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 the Human CAMKK1A in Complex with GSK650394 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:63.3 occ:1.00 CG1 A:VAL241 3.3 68.8 1.0 N A:CYS351 3.6 59.8 1.0 CG1 A:ILE354 3.9 60.4 1.0 CD1 A:ILE354 4.1 60.4 1.0 CA A:LYS350 4.1 59.3 1.0 CD A:PRO242 4.1 55.5 1.0 CB A:CYS351 4.1 59.0 1.0 CB A:PRO242 4.2 57.0 1.0 CB A:LYS350 4.3 61.2 1.0 N A:PRO242 4.3 55.2 1.0 C A:LYS350 4.4 59.0 1.0 SG A:CYS351 4.4 58.1 1.0 CA A:CYS351 4.5 60.6 1.0 CA A:PRO242 4.5 56.0 1.0 CG A:PRO242 4.5 55.4 1.0 C A:VAL241 4.6 56.9 1.0 CB A:VAL241 4.7 64.4 1.0 O A:VAL241 4.9 59.8 1.0 O A:HOH632 5.0 55.9 1.0 CG2 A:ILE354 5.0 63.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Human CAMKK1A in Complex with GSK650394


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 the Human CAMKK1A in Complex with GSK650394 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:77.6 occ:1.00 CD2 B:LEU232 4.1 51.8 1.0 CB B:ARG234 4.3 51.1 1.0 CG B:HIS153 4.4 67.9 1.0 CD2 B:HIS153 4.5 67.2 1.0 CB B:HIS153 4.6 69.6 1.0 CD B:ARG234 4.7 54.6 1.0 CD1 B:LEU144 4.7 55.5 1.0 ND1 B:HIS153 4.7 67.0 1.0 NE2 B:HIS153 4.9 68.8 1.0 CD2 B:LEU144 4.9 58.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Human CAMKK1A in Complex with GSK650394


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Human CAMKK1A in Complex with GSK650394 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl502 b:86.2 occ:1.00 CD2 C:LEU232 3.9 45.6 1.0 CD C:ARG234 4.1 50.4 1.0 CB C:ARG234 4.2 47.1 1.0 CD2 C:HIS153 4.2 60.5 1.0 CG C:HIS153 4.3 60.4 1.0 CB C:HIS153 4.4 58.4 1.0 CG C:ARG234 4.7 49.1 1.0 NE2 C:HIS153 4.8 60.8 1.0 ND1 C:HIS153 4.9 63.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Human CAMKK1A in Complex with GSK650394


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Human CAMKK1A in Complex with GSK650394 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:75.0 occ:1.00 CB D:ARG234 4.0 50.8 1.0 CD2 D:LEU232 4.1 48.3 1.0 CD D:ARG234 4.2 52.6 1.0 CG D:HIS153 4.6 68.8 1.0 CD2 D:HIS153 4.6 67.2 1.0 CG D:ARG234 4.7 50.3 1.0 CB D:HIS153 4.8 71.7 1.0 ND1 D:HIS153 5.0 67.7 1.0

A.S.Santiago, R.M.Counago, G.L.Righetto, P.Z.Ramos, P.N.B.Silva, D.Drewry, J.M.Elkins, K.B.Massirer, P.Arruda, A.M.Edwards. Crystal Structure of the Human CAMKK1A in Complex with GSK650394 To Be Published.