Chlorine in PDB 6brc: Crystal Structure of the Human CAMKK2B in Complex with AP26113-Analog (Alk-in-1)

All present enzymatic activity of Crystal Structure of the Human CAMKK2B in Complex with AP26113-Analog (Alk-in-1):
2.7.11.17;

The structure of Crystal Structure of the Human CAMKK2B in Complex with AP26113-Analog (Alk-in-1), PDB code: 6brc was solved by R.M.Counago, C.V.Dos Reis, G.P.De Souza, P.Z.Ramos, D.Drewry, K.B.Massirer, P.Arruda, A.M.Edwards, J.M.Elkins, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.73 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	54.800, 54.861, 56.633, 72.38, 78.35, 89.74
R / Rfree (%)	21.3 / 26.5

The structure of Crystal Structure of the Human CAMKK2B in Complex with AP26113-Analog (Alk-in-1) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Human CAMKK2B in Complex with AP26113-Analog (Alk-in-1) (pdb code 6brc). 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 the Human CAMKK2B in Complex with AP26113-Analog (Alk-in-1), PDB code: 6brc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Human CAMKK2B in Complex with AP26113-Analog (Alk-in-1)


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 CAMKK2B in Complex with AP26113-Analog (Alk-in-1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:45.3 occ:1.00 CL1 A:E5J501 0.0 45.3 1.0 C25 A:E5J501 1.7 36.2 1.0 C26 A:E5J501 2.7 35.1 1.0 C21 A:E5J501 2.7 37.1 1.0 N4 A:E5J501 3.1 37.1 1.0 C19 A:E5J501 3.5 40.8 1.0 CB A:PHE267 3.6 41.3 1.0 CG A:PHE267 3.6 41.4 1.0 N6 A:E5J501 4.0 34.5 1.0 CD1 A:PHE267 4.0 40.5 1.0 N5 A:E5J501 4.0 32.0 1.0 O A:HOH629 4.1 54.2 1.0 CB A:ALA192 4.1 41.6 1.0 CD2 A:PHE267 4.2 42.2 1.0 C15 A:E5J501 4.4 34.8 1.0 C16 A:E5J501 4.4 39.6 1.0 CD1 A:LEU319 4.5 38.0 1.0 CG1 A:VAL249 4.5 47.1 1.0 O A:GLU268 4.7 37.6 1.0 CE1 A:PHE267 4.7 42.4 1.0 P1 A:E5J501 4.8 42.6 1.0 CE2 A:PHE267 4.9 41.8 1.0 CB A:VAL249 4.9 46.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Human CAMKK2B in Complex with AP26113-Analog (Alk-in-1)


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 CAMKK2B in Complex with AP26113-Analog (Alk-in-1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:44.0 occ:1.00 CL1 B:E5J501 0.0 44.0 1.0 C25 B:E5J501 1.7 40.9 1.0 C21 B:E5J501 2.7 39.2 1.0 C26 B:E5J501 2.7 39.3 1.0 N4 B:E5J501 3.0 38.1 1.0 CB B:PHE267 3.7 38.5 1.0 C19 B:E5J501 3.7 41.4 1.0 CG B:PHE267 3.7 38.0 1.0 O B:HOH635 3.9 40.5 1.0 N5 B:E5J501 4.0 37.5 1.0 N6 B:E5J501 4.0 38.1 1.0 CD1 B:PHE267 4.0 39.3 1.0 CD2 B:PHE267 4.1 38.0 1.0 CB B:ALA192 4.2 40.2 1.0 C16 B:E5J501 4.4 41.3 1.0 C15 B:E5J501 4.4 39.9 1.0 CG1 B:VAL249 4.5 43.3 1.0 CD1 B:LEU319 4.5 36.8 1.0 CE1 B:PHE267 4.7 40.3 1.0 O B:GLU268 4.8 41.6 1.0 CE2 B:PHE267 4.8 40.0 1.0 P1 B:E5J501 4.8 46.5 1.0 CB B:VAL249 4.9 42.2 1.0

R.M.Counago, C.V.Dos Reis, G.P.De Souza, P.Z.Ramos, D.Drewry, K.B.Massirer, P.Arruda, A.M.Edwards, J.M.Elkins, Structural Genomics Consortium (Sgc). Crystal Structure of the Human CAMKK2B in Complex with AP26113-Analog (Alk-in-1) To Be Published.