Arsenic in PDB 7s6u: Leishmania Infantum Glycogen Synthase Kinase 3 Beta Bound to AZD5438

All present enzymatic activity of Leishmania Infantum Glycogen Synthase Kinase 3 Beta Bound to AZD5438:
2.7.11.1;

The structure of Leishmania Infantum Glycogen Synthase Kinase 3 Beta Bound to AZD5438, PDB code: 7s6u was solved by C.V.Dos Reis, P.Z.Ramos, R.M.Counago, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.26 / 1.74
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	156.368, 39.519, 62.608, 90, 100.53, 90
R / Rfree (%)	17.3 / 20

The binding sites of Arsenic atom in the Leishmania Infantum Glycogen Synthase Kinase 3 Beta Bound to AZD5438 (pdb code 7s6u). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Leishmania Infantum Glycogen Synthase Kinase 3 Beta Bound to AZD5438, PDB code: 7s6u:

Arsenic binding site 1 out of 1 in the Leishmania Infantum Glycogen Synthase Kinase 3 Beta Bound to AZD5438


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Leishmania Infantum Glycogen Synthase Kinase 3 Beta Bound to AZD5438 within 5.0Å range: probe atom residue distance (Å) B Occ A:As405 b:60.0 occ:1.00 AS A:CAC405 0.0 60.0 1.0 O2 A:CAC405 1.7 42.6 1.0 O1 A:CAC405 1.7 43.9 1.0 C2 A:CAC405 1.9 41.0 1.0 C1 A:CAC405 2.0 49.2 1.0 NH1 A:ARG60 3.7 31.9 1.0 NH2 A:ARG60 3.8 39.0 1.0 NZ A:LYS175 4.0 40.1 1.0 NH1 A:ARG150 4.0 30.5 1.0 CD A:LYS175 4.2 35.3 1.0 CZ A:ARG60 4.3 34.8 1.0 CG2 A:VAL184 4.3 57.0 1.0 CE A:LYS175 4.6 38.4 1.0 NH2 A:ARG150 4.6 31.4 1.0 N A:VAL184 4.7 46.2 1.0 CB A:ARG58 4.7 43.8 1.0 O A:HOH615 4.8 44.8 1.0 CZ A:ARG150 4.8 34.4 1.0 CB A:VAL184 4.9 54.2 1.0 CG A:ARG58 4.9 50.7 1.0

P.Z.Ramos, C.V.Dos Reis, R.M.Counago. Leishmania Infantum Glycogen Synthase Kinase 3 Beta Bound to AZD5438 To Be Published.