Magnesium in PDB 6p8j: Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp

The structure of Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp, PDB code: 6p8j was solved by Q.Ye, K.D.Corbett, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.26 / 1.47
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.484, 152.166, 88.255, 90.00, 90.12, 90.00
R / Rfree (%)	19.5 / 22.9

The structure of Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp (pdb code 6p8j). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp, PDB code: 6p8j:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg403 b:18.9 occ:1.00 O C:ASN62 2.3 18.9 1.0 O2B C:ATP401 2.3 16.7 1.0 OD1 C:ASN64 2.3 20.6 1.0 O1A C:ATP401 2.4 17.1 1.0 O C:HOH684 2.4 19.2 1.0 OD2 C:ASP130 2.7 22.6 1.0 HD21 C:ASN64 3.2 28.5 1.0 HB3 C:ASN62 3.2 19.9 1.0 CG C:ASN64 3.2 18.6 1.0 HZ1 C:LYS56 3.2 21.6 1.0 HB2 C:ASN62 3.3 19.9 1.0 PB C:ATP401 3.3 16.9 1.0 PA C:ATP401 3.4 16.6 1.0 O3A C:ATP401 3.4 14.9 1.0 C C:ASN62 3.5 17.2 1.0 ND2 C:ASN64 3.5 23.7 1.0 CB C:ASN62 3.7 16.5 1.0 CG C:ASP130 3.7 26.3 1.0 H5'1 C:ATP401 3.7 19.7 1.0 HB2 C:ASP130 3.8 21.2 1.0 O C:HOH532 3.9 33.5 1.0 H C:ASN64 4.0 19.3 1.0 HZ2 C:LYS56 4.0 21.6 1.0 NZ C:LYS56 4.0 18.0 1.0 CA C:ASN62 4.2 18.2 1.0 O C:HOH679 4.2 27.8 1.0 CB C:ASP130 4.2 17.6 1.0 N C:ASN64 4.3 16.1 1.0 O1B C:ATP401 4.3 17.6 1.0 HD22 C:ASN64 4.3 28.5 1.0 O C:HOH568 4.4 16.9 1.0 H5'2 C:ATP401 4.4 19.7 1.0 C5' C:ATP401 4.4 16.4 1.0 HA C:ILE63 4.4 17.2 1.0 O2G C:ATP401 4.5 16.8 1.0 CB C:ASN64 4.5 15.1 1.0 O5' C:ATP401 4.5 16.2 1.0 HA C:ASN62 4.5 21.9 1.0 N C:ILE63 4.5 22.6 1.0 HZ3 C:LYS56 4.5 21.6 1.0 O2A C:ATP401 4.6 15.4 1.0 HB3 C:ASP130 4.6 21.2 1.0 OD1 C:ASP130 4.6 26.9 1.0 O3B C:ATP401 4.6 17.3 1.0 HE3 C:LYS56 4.7 22.6 1.0 HA C:ASN64 4.7 18.9 1.0 C C:ILE63 4.7 16.6 1.0 CA C:ASN64 4.8 15.7 1.0 HB2 C:ASN64 4.8 18.2 1.0 CA C:ILE63 4.8 14.3 1.0 O C:HOH643 4.9 34.9 1.0 CE C:LYS56 4.9 18.8 1.0

Magnesium binding site 2 out of 4 in the Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:18.4 occ:1.00 O2A A:ATP401 2.3 17.4 1.0 O2B A:ATP401 2.3 17.3 1.0 O A:HOH653 2.4 18.7 1.0 O A:ASN62 2.4 16.9 1.0 OD1 A:ASN64 2.4 22.1 1.0 OD2 A:ASP130 2.6 24.6 1.0 HB3 A:ASN62 3.0 23.9 1.0 HD21 A:ASN64 3.2 17.2 1.0 CG A:ASN64 3.3 13.7 1.0 HZ1 A:LYS56 3.3 23.9 1.0 HB2 A:ASN62 3.3 23.9 1.0 PB A:ATP401 3.3 16.0 1.0 PA A:ATP401 3.4 17.1 1.0 O3A A:ATP401 3.4 15.6 1.0 C A:ASN62 3.5 15.1 1.0 ND2 A:ASN64 3.6 14.3 1.0 CB A:ASN62 3.6 19.9 1.0 CG A:ASP130 3.7 20.6 1.0 H5'1 A:ATP401 3.8 16.5 1.0 HB2 A:ASP130 3.8 24.3 1.0 NZ A:LYS56 4.1 19.8 1.0 HZ2 A:LYS56 4.1 23.9 1.0 CA A:ASN62 4.1 17.6 1.0 H A:ASN64 4.2 21.5 1.0 O1B A:ATP401 4.3 20.8 1.0 CB A:ASP130 4.3 20.2 1.0 O A:HOH587 4.3 16.2 1.0 HD22 A:ASN64 4.4 17.2 1.0 O1A A:ATP401 4.4 16.6 1.0 O A:HOH680 4.4 24.9 1.0 N A:ASN64 4.4 17.9 1.0 O5' A:ATP401 4.4 17.6 1.0 O2G A:ATP401 4.5 18.8 1.0 C5' A:ATP401 4.5 13.7 1.0 HA A:ASN62 4.5 21.2 1.0 CB A:ASN64 4.6 14.9 1.0 HZ3 A:LYS56 4.6 23.9 1.0 OD1 A:ASP130 4.6 20.3 1.0 H5'2 A:ATP401 4.6 16.5 1.0 HA A:ILE63 4.6 19.3 1.0 O3B A:ATP401 4.6 18.0 1.0 HB3 A:ASP130 4.6 24.3 1.0 N A:ILE63 4.6 18.7 1.0 HE3 A:LYS56 4.8 21.6 1.0 HA A:ASN64 4.8 23.2 1.0 C A:ILE63 4.8 17.7 1.0 CG A:ASN62 4.9 22.6 1.0 CA A:ASN64 4.9 19.3 1.0 HB2 A:ASN64 4.9 17.9 1.0 CA A:ILE63 4.9 16.1 1.0 HD22 A:ASN62 5.0 27.8 1.0 CE A:LYS56 5.0 18.0 1.0

Magnesium binding site 3 out of 4 in the Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:20.6 occ:1.00 O B:HOH619 2.3 22.5 1.0 O B:ASN62 2.4 17.0 1.0 O2A B:ATP401 2.4 18.4 1.0 OD1 B:ASN64 2.4 18.5 1.0 O2B B:ATP401 2.4 16.4 1.0 OD2 B:ASP130 2.6 23.8 1.0 HB3 B:ASN62 3.0 20.2 1.0 HD21 B:ASN64 3.1 20.9 1.0 CG B:ASN64 3.2 21.6 1.0 HZ1 B:LYS56 3.3 19.4 1.0 HB2 B:ASN62 3.3 20.2 1.0 PB B:ATP401 3.4 15.7 1.0 PA B:ATP401 3.4 17.1 1.0 O3A B:ATP401 3.5 17.9 1.0 C B:ASN62 3.5 17.6 1.0 ND2 B:ASN64 3.5 17.4 1.0 CB B:ASN62 3.6 16.8 1.0 CG B:ASP130 3.6 24.1 1.0 HB2 B:ASP130 3.7 21.4 1.0 H5'1 B:ATP401 3.8 19.3 1.0 O B:HOH618 4.0 40.9 1.0 NZ B:LYS56 4.1 16.1 1.0 HZ2 B:LYS56 4.1 19.4 1.0 CA B:ASN62 4.1 13.8 1.0 H B:ASN64 4.1 19.3 1.0 CB B:ASP130 4.2 17.8 1.0 O1B B:ATP401 4.2 15.3 1.0 O B:HOH687 4.3 20.7 1.0 HD22 B:ASN64 4.3 20.9 1.0 N B:ASN64 4.4 16.1 1.0 O B:HOH612 4.4 14.9 1.0 O1G B:ATP401 4.4 15.3 1.0 HA B:ASN62 4.4 16.4 1.0 O1A B:ATP401 4.5 16.3 1.0 C5' B:ATP401 4.5 16.1 1.0 OD1 B:ASP130 4.5 28.0 1.0 CB B:ASN64 4.5 19.1 1.0 O5' B:ATP401 4.5 17.3 1.0 H5'2 B:ATP401 4.5 19.3 1.0 HB3 B:ASP130 4.5 21.4 1.0 HA B:ILE63 4.6 26.1 1.0 N B:ILE63 4.6 18.4 1.0 HZ3 B:LYS56 4.6 19.4 1.0 O3B B:ATP401 4.7 15.1 1.0 HE3 B:LYS56 4.7 22.7 1.0 HA B:ASN64 4.7 19.2 1.0 C B:ILE63 4.8 14.2 1.0 HB2 B:ASN64 4.8 23.0 1.0 CA B:ASN64 4.8 15.9 1.0 CA B:ILE63 4.9 21.7 1.0 O B:HOH650 4.9 37.6 1.0 CG B:ASN62 4.9 21.7 1.0 CE B:LYS56 5.0 18.9 1.0

Magnesium binding site 4 out of 4 in the Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg403 b:18.0 occ:1.00 O2B D:ATP401 2.2 17.1 1.0 O1A D:ATP401 2.3 17.3 1.0 O D:ASN62 2.3 19.4 1.0 OD1 D:ASN64 2.4 19.2 1.0 O D:HOH665 2.5 19.7 1.0 OD2 D:ASP130 2.6 20.6 1.0 HB3 D:ASN62 3.1 22.6 1.0 HZ1 D:LYS56 3.2 17.8 1.0 PB D:ATP401 3.3 15.4 1.0 CG D:ASN64 3.3 17.6 1.0 HD21 D:ASN64 3.3 31.6 1.0 HB2 D:ASN62 3.4 22.6 1.0 PA D:ATP401 3.4 16.9 1.0 O3A D:ATP401 3.4 16.8 1.0 C D:ASN62 3.4 14.6 1.0 CB D:ASN62 3.6 18.8 1.0 CG D:ASP130 3.6 17.5 1.0 ND2 D:ASN64 3.7 26.3 1.0 HB2 D:ASP130 3.7 27.8 1.0 H5'2 D:ATP401 3.8 16.4 1.0 O D:HOH579 3.8 30.9 1.0 H D:ASN64 4.0 16.9 1.0 NZ D:LYS56 4.0 14.8 1.0 HZ2 D:LYS56 4.0 17.8 1.0 CA D:ASN62 4.1 19.2 1.0 CB D:ASP130 4.2 23.1 1.0 O1B D:ATP401 4.2 15.5 1.0 N D:ASN64 4.3 14.0 1.0 O D:HOH598 4.3 14.0 1.0 O D:HOH669 4.4 26.5 1.0 O3G D:ATP401 4.4 14.8 1.0 HA D:ASN62 4.4 23.1 1.0 O2A D:ATP401 4.4 16.8 1.0 C5' D:ATP401 4.4 13.6 1.0 HB3 D:ASP130 4.5 27.8 1.0 HA D:ILE63 4.5 17.6 1.0 H5'1 D:ATP401 4.5 16.4 1.0 O5' D:ATP401 4.5 17.2 1.0 HD22 D:ASN64 4.5 31.6 1.0 HZ3 D:LYS56 4.5 17.8 1.0 N D:ILE63 4.5 16.0 1.0 OD1 D:ASP130 4.6 22.2 1.0 O3B D:ATP401 4.6 15.7 1.0 CB D:ASN64 4.6 17.5 1.0 C D:ILE63 4.7 15.6 1.0 HE3 D:LYS56 4.8 26.7 1.0 HA D:ASN64 4.8 19.6 1.0 CA D:ILE63 4.8 14.7 1.0 CA D:ASN64 4.8 16.3 1.0 HB2 D:ASN64 4.9 21.1 1.0 CE D:LYS56 5.0 22.2 1.0 CG D:ASN62 5.0 26.7 1.0

Q.Ye, R.K.Lau, I.T.Mathews, E.A.Birkholz, J.D.Watrous, C.S.Azimi, J.Pogliano, M.Jain, K.D.Corbett. Horma Domain Proteins and A TRIP13-Like Atpase Regulate Bacterial Cgas-Like Enzymes to Mediate Bacteriophage Immunity To Be Published.