Potassium in PDB 3mz7: Crystal Structure of D101L CO2+ HDAC8 Complexed with M344

All present enzymatic activity of Crystal Structure of D101L CO2+ HDAC8 Complexed with M344:
3.5.1.98;

The structure of Crystal Structure of D101L CO2+ HDAC8 Complexed with M344, PDB code: 3mz7 was solved by D.P.Dowling, S.G.Gattis, C.A.Fierke, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.15 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.799, 88.431, 52.503, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 25.6

The structure of Crystal Structure of D101L CO2+ HDAC8 Complexed with M344 also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Potassium atom in the Crystal Structure of D101L CO2+ HDAC8 Complexed with M344 (pdb code 3mz7). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of D101L CO2+ HDAC8 Complexed with M344, PDB code: 3mz7:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of D101L CO2+ HDAC8 Complexed with M344


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of D101L CO2+ HDAC8 Complexed with M344 within 5.0Å range: probe atom residue distance (Å) B Occ A:K391 b:26.1 occ:1.00 O A:LEU200 2.6 21.9 1.0 OD1 A:ASP176 2.7 19.6 1.0 O A:ASP178 2.8 24.7 1.0 O A:HIS180 2.8 19.0 1.0 OG A:SER199 2.9 24.2 1.0 O A:ASP176 2.9 22.9 1.0 N A:ASP178 3.5 21.4 1.0 CG A:ASP176 3.5 26.0 1.0 C A:ASP176 3.5 22.0 1.0 C A:LEU200 3.6 19.6 1.0 C A:ASP178 3.6 22.7 1.0 C A:HIS180 3.7 19.9 1.0 N A:LEU200 3.9 20.3 1.0 CB A:ASP176 3.9 24.8 1.0 CA A:ASP178 3.9 21.5 1.0 CB A:ASP178 3.9 20.2 1.0 CB A:HIS201 4.0 23.1 1.0 C A:LEU177 4.0 22.0 1.0 CB A:SER199 4.0 23.4 1.0 N A:LEU177 4.1 21.8 1.0 CA A:LEU177 4.1 21.4 1.0 N A:GLY182 4.3 22.2 1.0 ND1 A:HIS201 4.3 22.4 1.0 CA A:SER199 4.3 22.2 1.0 CA A:ASP176 4.3 24.4 1.0 N A:HIS180 4.4 22.2 1.0 OD2 A:ASP176 4.4 22.6 1.0 C A:SER199 4.4 21.7 1.0 N A:HIS201 4.4 23.8 1.0 CA A:HIS201 4.4 21.4 1.0 CA A:HIS181 4.4 23.4 1.0 CA A:LEU200 4.4 20.5 1.0 N A:HIS181 4.4 22.2 1.0 O A:HOH395 4.6 23.2 1.0 CG A:HIS201 4.6 23.5 1.0 C A:HIS181 4.7 24.2 1.0 CA A:HIS180 4.7 22.5 1.0 C A:LEU179 4.7 24.4 1.0 O A:LEU177 4.7 24.2 1.0 N A:LEU179 4.8 20.9 1.0 CE1 A:HIS142 5.0 25.3 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of D101L CO2+ HDAC8 Complexed with M344


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of D101L CO2+ HDAC8 Complexed with M344 within 5.0Å range: probe atom residue distance (Å) B Occ A:K392 b:34.8 occ:1.00 O A:HOH394 2.6 25.3 1.0 O A:PHE189 2.7 33.3 1.0 O A:VAL195 2.7 30.7 1.0 O A:HOH393 2.7 22.0 1.0 O A:TYR225 2.9 31.1 1.0 O A:THR192 2.9 33.2 1.0 C A:TYR225 3.6 30.5 1.0 C A:PHE189 3.7 31.4 1.0 CB A:TYR225 3.7 29.0 1.0 C A:VAL195 3.9 29.8 1.0 C A:THR192 4.0 33.8 1.0 OG A:SER226 4.1 30.6 1.0 CB A:PHE189 4.1 31.0 1.0 CA A:TYR225 4.2 30.4 1.0 O A:SER190 4.3 34.6 1.0 CA A:SER190 4.4 35.1 1.0 N A:SER226 4.4 30.9 1.0 C A:SER190 4.4 35.0 1.0 N A:THR192 4.4 37.0 1.0 CA A:MET196 4.4 29.8 1.0 N A:SER190 4.5 32.7 1.0 CG2 A:THR192 4.5 36.6 1.0 CA A:PHE189 4.5 30.7 1.0 O A:GLY222 4.5 33.0 1.0 N A:MET196 4.6 31.2 1.0 CA A:THR192 4.7 35.4 1.0 N A:THR197 4.8 29.8 1.0 CA A:GLY222 4.8 36.0 1.0 CA A:SER226 4.9 31.3 1.0 CA A:VAL195 5.0 32.0 1.0 CG A:TYR225 5.0 33.2 1.0

D.P.Dowling, S.G.Gattis, C.A.Fierke, D.W.Christianson. Structures of Metal-Substituted Human Histone Deacetylase 8 Provide Mechanistic Inferences on Biological Function. Biochemistry V. 49 5048 2010.
ISSN: ISSN 0006-2960
PubMed: 20545365
DOI: 10.1021/BI1005046