Potassium in PDB 7rfk: Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin

All present enzymatic activity of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin:
2.1.1.72;

The structure of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin, PDB code: 7rfk was solved by J.R.Horton, X.Cheng, J.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.29 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.155, 160.446, 231.304, 90, 90, 90
R / Rfree (%)	18.9 / 22.5

The binding sites of Potassium atom in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin (pdb code 7rfk). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin, PDB code: 7rfk:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin within 5.0Å range: probe atom residue distance (Å) B Occ A:K609 b:44.6 occ:1.00 O A:TYR91 2.7 49.7 1.0 OE1 A:GLU93 2.8 63.8 1.0 O2 A:EDO603 2.8 49.9 1.0 O A:LYS88 2.9 34.1 1.0 O A:LYS89 2.9 48.4 1.0 O1 A:EDO603 2.9 56.5 1.0 O A:HOH1007 2.9 48.0 1.0 CD A:GLU93 3.5 59.0 1.0 C A:LYS89 3.5 46.4 1.0 C1 A:EDO603 3.6 59.1 1.0 C2 A:EDO603 3.7 44.3 1.0 CB A:GLU93 3.9 47.4 1.0 C A:TYR91 3.9 36.4 1.0 CA A:LYS89 3.9 37.1 1.0 N A:GLU93 4.0 43.0 1.0 C A:LYS88 4.0 45.8 1.0 OE2 A:GLU93 4.1 72.6 1.0 O A:HOH916 4.1 45.9 1.0 CG A:GLU93 4.3 50.2 1.0 N A:TYR91 4.3 40.8 1.0 CA A:GLU93 4.4 48.1 1.0 N A:LYS89 4.4 35.6 1.0 N A:LYS90 4.5 34.5 1.0 C A:LYS90 4.5 39.0 1.0 C A:ASP92 4.7 45.1 1.0 CA A:TYR91 4.7 34.9 1.0 O A:LYS90 4.8 40.8 1.0 N A:ASP92 4.8 41.6 1.0 CA A:ASP92 4.9 51.1 1.0 CA A:LYS90 5.0 33.6 1.0

Potassium binding site 2 out of 3 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin within 5.0Å range: probe atom residue distance (Å) B Occ B:K612 b:41.6 occ:1.00 O B:HOH859 2.7 33.0 1.0 O B:ALA250 2.8 31.9 1.0 OD1 B:ASN251 2.8 43.8 1.0 O B:GLY249 2.9 33.2 1.0 O B:VAL258 2.9 24.8 1.0 OG B:SER259 3.0 24.4 1.0 O B:HOH815 3.2 34.5 1.0 C B:ALA250 3.5 32.1 1.0 C B:GLY249 3.6 37.8 1.0 C B:VAL258 3.6 26.1 1.0 CG B:ASN251 3.9 57.7 1.0 CA B:SER259 4.0 21.7 1.0 CA B:ASN251 4.0 51.2 1.0 N B:ASN251 4.1 32.4 1.0 CB B:SER259 4.1 27.3 1.0 N B:SER259 4.1 24.7 1.0 O F:HOH221 4.2 34.7 1.0 CA B:GLY249 4.3 30.4 1.0 N B:ALA250 4.3 35.1 1.0 O B:HOH916 4.4 39.3 1.0 CA B:SER514 4.4 33.0 1.0 O B:HOH755 4.5 28.1 1.0 CA B:ALA250 4.5 34.6 1.0 N B:VAL258 4.5 26.5 1.0 CB B:ASN251 4.6 36.9 1.0 N B:LYS515 4.6 33.9 1.0 O B:HOH797 4.7 27.3 1.0 CA B:VAL258 4.7 23.4 1.0 CB B:SER514 4.7 35.0 1.0 ND2 B:ASN251 5.0 55.8 1.0 C B:SER514 5.0 30.2 1.0

Potassium binding site 3 out of 3 in the Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Cama Adenine Methyltransferase Complexed to Cognate Substrate Dna and Inhibitor Sinefungin within 5.0Å range: probe atom residue distance (Å) B Occ B:K613 b:41.0 occ:1.00 O B:TYR91 2.6 45.5 1.0 O B:LYS89 2.9 41.0 1.0 O B:HOH1048 2.9 40.3 1.0 O B:LYS88 2.9 39.9 1.0 O B:HOH1033 2.9 42.1 1.0 OE1 B:GLU93 3.0 79.0 1.0 C B:LYS89 3.5 34.2 1.0 C B:TYR91 3.8 39.7 1.0 CA B:LYS89 3.9 36.2 1.0 CD B:GLU93 4.0 81.8 1.0 C B:LYS88 4.0 34.8 1.0 N B:GLU93 4.1 38.6 1.0 CB B:GLU93 4.1 47.5 1.0 N B:TYR91 4.3 45.0 1.0 N B:LYS89 4.5 34.3 1.0 N B:LYS90 4.5 33.3 1.0 C B:LYS90 4.5 46.5 1.0 CA B:GLU93 4.5 43.6 1.0 CG B:GLU93 4.6 39.5 1.0 CA B:TYR91 4.7 33.1 1.0 C B:ASP92 4.7 36.3 1.0 O B:LYS90 4.7 42.2 1.0 OE2 B:GLU93 4.8 70.4 1.0 N B:ASP92 4.8 33.6 1.0 CA B:ASP92 4.8 50.5 1.0 CA B:LYS90 5.0 47.5 1.0

J.Zhou, J.R.Horton, D.Yu, R.M.Blumenthal, X.Zhang, X.Cheng. Repurposing Epigenetic Inhibitors to Target the Clostridioides Difficile-Specific Dna Adenine Methyltransferase and Sporulation Regulator Cama To Be Published.