Chlorine 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:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of P. Aeruginosa ATCC27853 Cdnd D62N/D64N Mutant Bound to Atp, PDB code: 6p8j:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:28.5 occ:1.00 HH22 C:ARG255 2.4 23.5 1.0 H C:LYS194 2.5 22.3 1.0 NH2 C:ARG255 3.2 19.5 1.0 HG3 C:LYS194 3.2 37.5 1.0 HB2 C:LYS194 3.3 24.0 1.0 HD2 C:LYS197 3.3 28.5 1.0 HA C:LEU193 3.3 24.2 1.0 N C:LYS194 3.3 18.6 1.0 HH21 C:ARG255 3.4 23.5 1.0 HB2 C:LYS197 3.6 27.2 1.0 O C:HOH622 3.9 31.2 1.0 CB C:LYS194 3.9 20.0 1.0 HD2 C:LYS194 3.9 35.2 1.0 CG C:LYS194 3.9 31.2 1.0 HH12 C:ARG255 4.0 31.3 1.0 CA C:LEU193 4.1 20.1 1.0 HD22 C:LEU193 4.1 31.3 1.0 HG3 C:LYS197 4.2 25.5 1.0 HB3 C:LEU193 4.2 23.8 1.0 CD C:LYS197 4.2 23.8 1.0 CA C:LYS194 4.2 16.3 1.0 C C:LEU193 4.2 20.9 1.0 CZ C:ARG255 4.3 17.9 1.0 CD C:LYS194 4.4 29.3 1.0 CB C:LYS197 4.4 22.6 1.0 HD23 C:LEU193 4.5 31.3 1.0 HE3 C:LYS194 4.5 40.5 1.0 CG C:LYS197 4.5 21.2 1.0 NH1 C:ARG255 4.5 26.1 1.0 HZ2 C:LYS197 4.6 44.6 1.0 O C:LYS194 4.7 18.6 1.0 CB C:LEU193 4.7 19.8 1.0 O C:ASP192 4.7 30.8 0.5 O C:ASP192 4.7 32.1 0.5 HD3 C:LYS197 4.7 28.5 1.0 CD2 C:LEU193 4.7 26.0 1.0 HG2 C:LYS194 4.8 37.5 1.0 HB3 C:LYS194 4.8 24.0 1.0 C C:LYS194 4.9 18.4 1.0 HB3 C:LYS197 5.0 27.2 1.0 HA C:LYS194 5.0 19.6 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:30.4 occ:1.00 HH22 A:ARG255 2.3 29.7 1.0 H A:LYS194 2.4 22.4 1.0 NH2 A:ARG255 3.0 24.7 1.0 HG3 A:LYS194 3.2 25.0 1.0 HH21 A:ARG255 3.2 29.7 1.0 O A:HOH776 3.2 35.4 1.0 N A:LYS194 3.3 18.6 1.0 HA A:LEU193 3.3 28.8 1.0 HB2 A:LYS194 3.3 25.8 1.0 HD2 A:LYS197 3.4 28.4 1.0 O A:HOH554 3.6 38.5 1.0 HB2 A:LYS197 3.7 27.8 1.0 CG A:LYS194 3.9 20.8 1.0 CB A:LYS194 3.9 21.5 1.0 HD2 A:LYS194 3.9 36.8 1.0 HD22 A:LEU193 4.0 28.4 1.0 CA A:LEU193 4.0 24.0 1.0 HH12 A:ARG255 4.1 25.6 1.0 HB3 A:LEU193 4.1 36.3 1.0 C A:LEU193 4.1 16.7 1.0 CA A:LYS194 4.1 20.7 1.0 HZ2 A:LYS197 4.2 55.9 1.0 CZ A:ARG255 4.2 23.6 1.0 HD23 A:LEU193 4.2 28.4 1.0 CD A:LYS197 4.3 23.7 1.0 HE3 A:LYS194 4.4 37.3 1.0 HG3 A:LYS197 4.4 23.8 1.0 CD A:LYS194 4.4 30.6 1.0 NH1 A:ARG255 4.5 21.3 1.0 CB A:LYS197 4.6 23.1 1.0 CD2 A:LEU193 4.6 23.6 1.0 O A:LYS194 4.6 15.9 1.0 CB A:LEU193 4.6 30.2 1.0 CG A:LYS197 4.7 19.8 1.0 HE3 A:LYS197 4.7 59.5 1.0 HG2 A:LYS194 4.7 25.0 1.0 O A:ASP192 4.7 29.9 0.5 O A:ASP192 4.8 28.7 0.5 HB3 A:LYS194 4.8 25.8 1.0 C A:LYS194 4.9 14.1 1.0 CE A:LYS197 4.9 49.5 1.0 NZ A:LYS197 4.9 46.5 1.0 HD3 A:LYS197 4.9 28.4 1.0 HA A:LYS194 4.9 24.8 1.0 CE A:LYS194 4.9 31.0 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:28.6 occ:1.00 HH22 B:ARG255 2.2 23.1 1.0 H B:LYS194 2.5 18.7 1.0 O B:HOH838 2.8 40.1 1.0 NH2 B:ARG255 3.0 19.2 1.0 HH21 B:ARG255 3.2 23.1 1.0 HG3 B:LYS194 3.2 23.0 1.0 HA B:LEU193 3.2 24.7 1.0 HB2 B:LYS194 3.3 24.9 1.0 N B:LYS194 3.3 15.6 1.0 O B:HOH530 3.7 31.2 1.0 HB2 B:LYS197 3.7 21.4 1.0 HG3 B:LYS197 3.7 27.2 1.0 HD2 B:LYS197 3.8 32.5 1.0 CB B:LYS194 3.9 20.7 1.0 HH12 B:ARG255 4.0 25.5 1.0 CG B:LYS194 4.0 19.1 1.0 CA B:LEU193 4.1 20.5 1.0 HD22 B:LEU193 4.1 28.1 1.0 HE3 B:LYS197 4.1 55.9 1.0 CZ B:ARG255 4.1 21.5 1.0 CA B:LYS194 4.2 14.6 1.0 C B:LEU193 4.2 16.7 1.0 HD2 B:LYS194 4.3 27.2 1.0 CG B:LYS197 4.3 22.6 1.0 HB3 B:LEU193 4.3 24.2 1.0 HD23 B:LEU193 4.4 28.1 1.0 HZ2 B:LYS197 4.4 59.1 1.0 CD B:LYS197 4.4 27.1 1.0 NH1 B:ARG255 4.4 21.2 1.0 CB B:LYS197 4.4 17.8 1.0 HE3 B:LYS194 4.5 28.8 1.0 O B:LYS194 4.6 17.4 1.0 O B:ASP192 4.6 27.2 1.0 CD B:LYS194 4.6 22.6 1.0 CE B:LYS197 4.7 46.5 1.0 CD2 B:LEU193 4.7 23.4 1.0 CB B:LEU193 4.7 20.1 1.0 HG2 B:LYS194 4.7 23.0 1.0 HB3 B:LYS194 4.8 24.9 1.0 C B:LYS194 4.9 17.3 1.0 HA B:LYS194 4.9 17.4 1.0 O B:HOH841 4.9 33.1 1.0 HA B:LYS197 4.9 22.7 1.0 NZ B:LYS197 5.0 49.2 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402 b:26.1 occ:1.00 HH22 D:ARG255 2.2 19.4 1.0 H D:LYS194 2.5 20.6 1.0 NH2 D:ARG255 3.0 16.1 1.0 HA D:LEU193 3.2 25.3 1.0 HH21 D:ARG255 3.3 19.4 1.0 N D:LYS194 3.3 17.2 1.0 HB2 D:LYS194 3.3 24.9 1.0 HD2 D:LYS197 3.5 29.4 1.0 HB2 D:LYS197 3.5 22.6 1.0 HG3 D:LYS194 3.6 25.5 1.0 O D:HOH601 3.6 33.6 1.0 HH12 D:ARG255 3.8 29.4 1.0 HD22 D:LEU193 3.9 31.9 1.0 CA D:LEU193 4.0 21.0 1.0 CB D:LYS194 4.0 20.7 1.0 HG3 D:LYS197 4.0 23.7 1.0 CZ D:ARG255 4.1 20.7 1.0 HD2 D:LYS194 4.1 27.1 1.0 C D:LEU193 4.1 16.2 1.0 HB3 D:LEU193 4.2 27.3 1.0 HD23 D:LEU193 4.2 31.9 1.0 CG D:LYS194 4.2 21.2 1.0 HE3 D:LYS197 4.2 44.1 1.0 CA D:LYS194 4.2 15.5 1.0 CD D:LYS197 4.3 24.5 1.0 NH1 D:ARG255 4.3 24.4 1.0 CB D:LYS197 4.4 18.8 1.0 CG D:LYS197 4.4 19.7 1.0 CD2 D:LEU193 4.5 26.6 1.0 HZ1 D:LYS197 4.5 41.6 1.0 O D:ASP192 4.5 23.9 1.0 CB D:LEU193 4.6 22.7 1.0 CD D:LYS194 4.7 22.5 1.0 O D:LYS194 4.7 17.7 1.0 CE D:LYS197 4.7 36.8 1.0 HE3 D:LYS194 4.7 37.6 1.0 HB3 D:LYS194 4.9 24.9 1.0 C D:LYS194 5.0 16.9 1.0 HB3 D:LYS197 5.0 22.6 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.