Calcium in PDB 7ju3: Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae

The structure of Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae, PDB code: 7ju3 was solved by G.A.Beggs, W.M.Shafer, R.G.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.84 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	153.273, 59.42, 69.508, 90, 114.31, 90
R / Rfree (%)	22.8 / 28.2

The binding sites of Calcium atom in the Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae (pdb code 7ju3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae, PDB code: 7ju3:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:74.0 occ:1.00 O A:ARG30 2.4 64.6 1.0 O D:HOH203 2.6 149.8 1.0 O D:HOH206 2.6 108.3 1.0 O A:HOH421 2.6 55.2 1.0 O A:HOH407 2.7 99.0 1.0 OE1 A:GLU35 3.2 77.0 1.0 OE2 A:GLU35 3.2 74.9 1.0 C A:ARG30 3.4 60.5 1.0 CD A:GLU35 3.4 72.7 1.0 OP1 D:DT11 3.7 78.0 1.0 CA A:THR31 4.0 59.1 1.0 N A:THR31 4.1 56.8 1.0 N A:SER32 4.2 62.0 1.0 CA A:ARG30 4.3 64.3 1.0 CB A:ARG30 4.6 66.3 1.0 C A:THR31 4.6 62.3 1.0 CG A:GLU35 4.7 66.0 1.0 NZ A:LYS26 4.8 65.6 1.0 OG A:SER32 4.8 60.1 1.0

Calcium binding site 2 out of 4 in the Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:123.8 occ:1.00 OE2 A:GLU202 2.5 85.8 1.0 O A:HOH419 2.5 82.6 1.0 O A:HOH422 2.7 95.9 1.0 CD A:GLU202 2.8 85.1 1.0 O A:HOH426 2.9 76.6 1.0 OE1 A:GLU202 3.2 85.6 1.0 CB A:GLU202 3.5 84.4 1.0 CG A:GLU202 3.7 83.6 1.0 OD1 A:ASN203 4.2 77.4 1.0 ND2 A:ASN203 4.6 70.3 1.0 CG A:ASN203 4.8 73.0 1.0

Calcium binding site 3 out of 4 in the Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:102.3 occ:1.00 OE2 B:GLU35 2.4 79.0 1.0 O B:HOH416 2.4 92.9 1.0 O B:ARG30 2.5 67.1 1.0 O C:HOH102 2.5 134.5 1.0 O B:HOH401 2.5 119.3 1.0 O B:HOH410 2.7 120.3 1.0 OE1 B:GLU35 2.8 81.7 1.0 CD B:GLU35 2.9 78.1 1.0 C B:ARG30 3.7 62.2 1.0 OP1 C:DG14 4.3 81.6 1.0 CG B:GLU35 4.4 74.2 1.0 CE B:LYS26 4.5 89.9 1.0 CB B:ARG30 4.5 65.5 1.0 O B:HOH406 4.5 133.9 1.0 CA B:THR31 4.6 59.9 1.0 N B:THR31 4.6 58.3 1.0 N B:SER32 4.6 67.1 1.0 CA B:ARG30 4.6 65.2 1.0 OG B:SER32 4.9 65.7 1.0 CD B:LYS26 4.9 84.5 1.0

Calcium binding site 4 out of 4 in the Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Mtrr Bound to the Mtrcde Operator From Neisseria Gonorrhoeae within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca101 b:129.6 occ:1.00 O D:HOH202 2.6 81.0 1.0 O D:HOH207 2.9 86.6 1.0 O C:HOH104 2.9 100.9 1.0 O C:HOH103 2.9 122.9 1.0 C4' C:DT7 3.9 92.8 1.0 O C:HOH108 4.1 64.4 1.0 O4' D:DG18 4.1 138.1 1.0 C5' C:DT7 4.1 91.1 1.0 O4' C:DT7 4.2 92.3 1.0 C4' D:DG18 4.3 143.6 1.0 C5' D:DG18 4.7 144.8 1.0 N3 D:DG17 4.8 116.7 1.0 N2 D:DG17 4.8 109.7 1.0

G.A.Beggs, J.Ayala, L.G.Kavanagh, T.D.Read, G.M.Hooks, M.A.Schumacher, W.M.Shafer, R.G.Brennan. Neisseria Gonorrhoeae Mtrr-Operator Complexes Reveal Molecular Mechanisms of Dna Recognition and Antibiotic Resistance-Conferring Clinical Mutations. Nucleic Acids Res. 2021.
ISSN: ESSN 1362-4962