Potassium in PDB 4ija: Structure of S. Aureus Methicillin Resistance Factor MECR2

The structure of Structure of S. Aureus Methicillin Resistance Factor MECR2, PDB code: 4ija was solved by P.Arede, T.Botelho, T.Guevara, I.Uson, D.C.Oliveira, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.22 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.470, 73.220, 157.380, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.9

The binding sites of Potassium atom in the Structure of S. Aureus Methicillin Resistance Factor MECR2 (pdb code 4ija). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Structure of S. Aureus Methicillin Resistance Factor MECR2, PDB code: 4ija:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Structure of S. Aureus Methicillin Resistance Factor MECR2


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of S. Aureus Methicillin Resistance Factor MECR2 within 5.0Å range: probe atom residue distance (Å) B Occ A:K507 b:45.5 occ:1.00 O A:ALA210 2.6 28.6 1.0 O A:ALA226 2.7 29.7 1.0 OD1 A:ASN181 2.7 21.4 1.0 O A:HOH627 3.0 26.7 1.0 O A:HOH657 3.2 47.2 1.0 O A:HOH629 3.3 21.0 1.0 CG A:ASN181 3.5 35.7 1.0 O A:HOH626 3.6 46.2 1.0 C A:ALA210 3.7 28.5 1.0 ND2 A:ASN181 3.7 23.6 1.0 C A:ALA226 3.8 31.6 1.0 CA A:GLY227 4.0 28.4 1.0 OD1 A:ASN178 4.0 24.4 1.0 C A:GLY227 4.1 32.1 1.0 O A:GLY227 4.1 30.9 1.0 N A:GLY227 4.4 29.4 1.0 CA A:GLY211 4.4 23.0 1.0 N A:GLY211 4.4 23.2 1.0 N A:ALA210 4.5 25.5 1.0 CG A:ASN178 4.5 33.7 1.0 OE1 A:GLU228 4.6 64.9 1.0 CA A:ALA210 4.7 24.6 1.0 N A:GLU228 4.7 29.7 1.0 CB A:ASN181 4.8 21.6 1.0 N A:ASN181 4.9 21.9 1.0 CB A:ALA180 5.0 22.8 1.0

Potassium binding site 2 out of 4 in the Structure of S. Aureus Methicillin Resistance Factor MECR2


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of S. Aureus Methicillin Resistance Factor MECR2 within 5.0Å range: probe atom residue distance (Å) B Occ A:K508 b:71.0 occ:1.00 O A:ASN314 3.2 22.5 1.0 OG A:SER203 3.3 44.7 1.0 CB A:HIS205 3.4 34.6 1.0 O A:HOH654 3.5 45.0 1.0 ND2 A:ASN314 3.6 24.2 1.0 O A:ILE204 3.8 26.9 1.0 ND1 A:HIS205 3.8 44.1 1.0 C A:ILE204 4.0 29.3 1.0 N A:ILE204 4.0 24.5 1.0 CD A:PRO316 4.0 23.6 1.0 CG A:HIS205 4.0 41.4 1.0 C A:ASN314 4.1 24.5 1.0 CG A:ASN314 4.1 34.6 1.0 N A:HIS205 4.2 29.3 1.0 CA A:HIS205 4.3 31.2 1.0 CB A:SER203 4.4 26.8 1.0 C A:SER203 4.5 27.2 1.0 CA A:SER203 4.5 22.4 1.0 OD1 A:ASN314 4.6 27.6 1.0 CG A:PRO316 4.6 28.3 1.0 CB A:ASN314 4.6 18.4 1.0 CA A:ILE204 4.7 24.6 1.0 CA A:CYS315 4.7 22.6 1.0 N A:CYS315 4.8 21.7 1.0 OE2 A:GLU179 4.8 27.1 1.0 O A:HOH630 4.9 29.7 1.0 N A:PRO316 5.0 21.6 1.0 CA A:ASN314 5.0 22.1 1.0

Potassium binding site 3 out of 4 in the Structure of S. Aureus Methicillin Resistance Factor MECR2


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of S. Aureus Methicillin Resistance Factor MECR2 within 5.0Å range: probe atom residue distance (Å) B Occ B:K402 b:73.1 occ:1.00 N B:VAL149 3.2 39.5 1.0 O B:HOH527 3.3 57.5 1.0 OG B:SER161 3.7 66.7 1.0 CA B:HIS148 3.9 37.3 1.0 CA B:SER161 3.9 56.5 1.0 O B:VAL149 4.0 45.4 1.0 C B:HIS148 4.0 42.1 1.0 CB B:VAL149 4.0 43.1 1.0 CB B:SER161 4.1 61.2 1.0 CA B:VAL149 4.1 39.0 1.0 CG2 B:VAL149 4.3 41.6 1.0 CB B:HIS148 4.4 38.6 1.0 N B:ILE162 4.4 49.6 1.0 C B:VAL149 4.5 44.4 1.0 O B:GLN147 4.6 42.6 1.0 C B:SER161 4.6 57.2 1.0 O B:ILE160 4.7 61.3 1.0 CD2 B:HIS148 4.8 46.3 1.0 N B:SER161 5.0 59.1 1.0

Potassium binding site 4 out of 4 in the Structure of S. Aureus Methicillin Resistance Factor MECR2


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Structure of S. Aureus Methicillin Resistance Factor MECR2 within 5.0Å range: probe atom residue distance (Å) B Occ B:K403 b:38.9 occ:1.00 O B:ALA210 2.7 29.5 1.0 OD1 B:ASN181 2.8 26.4 1.0 O B:ALA226 2.9 29.3 1.0 O B:HOH521 2.9 35.6 1.0 O B:HOH520 3.0 34.2 1.0 O B:HOH523 3.3 27.2 1.0 OD1 B:ASN178 3.5 30.0 1.0 CG B:ASN181 3.6 31.6 1.0 O B:HOH528 3.7 25.9 1.0 C B:ALA210 3.7 31.2 1.0 ND2 B:ASN181 3.8 24.8 1.0 C B:ALA226 4.1 31.4 1.0 CG B:ASN178 4.1 35.3 1.0 C B:GLY227 4.1 31.6 1.0 O B:GLY227 4.1 31.4 1.0 CA B:GLY227 4.1 29.3 1.0 OE1 B:GLU228 4.3 40.2 1.0 N B:GLY211 4.4 26.3 1.0 CA B:GLY211 4.4 25.4 1.0 N B:ALA210 4.4 30.7 1.0 N B:GLY227 4.6 29.4 1.0 CB B:ASN178 4.7 24.3 1.0 N B:ASN181 4.7 25.3 1.0 CA B:ALA210 4.7 29.3 1.0 N B:GLU228 4.7 27.1 1.0 CB B:ALA180 4.7 26.5 1.0 ND2 B:ASN178 4.7 24.4 1.0 CB B:ASN181 4.8 19.8 1.0

P.Arede, T.Botelho, T.Guevara, I.Uson, D.C.Oliveira, F.X.Gomis-Ruth. Structure-Function Studies of the Staphylococcal Methicillin Resistance Antirepressor MECR2. J.Biol.Chem. V. 288 21267 2013.
ISSN: ISSN 0021-9258
PubMed: 23733184
DOI: 10.1074/JBC.M112.448134