Chlorine in PDB 7ff9: Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)

The structure of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I), PDB code: 7ff9 was solved by B.L.A.Chew, D.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.53 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	49.738, 87.615, 104.973, 79.04, 77.87, 75.4
R / Rfree (%)	26.4 / 29.3

The structure of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) also contains other interesting chemical elements:

Gold

(Au)

31 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) (pdb code 7ff9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I), PDB code: 7ff9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:15.8 occ:1.00 HB3 A:MET187 2.8 25.4 1.0 HG3 A:MET187 3.2 28.5 1.0 SD A:MET187 3.2 34.1 1.0 CG A:MET187 3.4 31.2 1.0 CB A:MET187 3.5 28.7 1.0 HB2 A:MET187 3.8 25.4 1.0 AU A:AU302 4.1 59.3 1.0 HG A:CYS183 4.3 30.1 1.0 HG2 A:MET187 4.4 28.5 1.0 SG A:CYS183 4.4 33.7 1.0 HA A:MET187 4.7 27.1 1.0 CA A:MET187 4.7 29.8 1.0 CE A:MET187 5.0 33.8 1.0

Chlorine binding site 2 out of 14 in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:40.7 occ:1.00 O A:HOH475 2.3 36.1 1.0 O A:HOH479 2.3 38.6 1.0 HD23 A:LEU153 3.2 24.0 1.0 SG A:CYS156 3.2 44.3 1.0 HG12 A:VAL210 3.3 32.0 1.0 HB A:VAL210 3.5 27.8 1.0 HG11 A:VAL210 3.5 32.0 1.0 CG1 A:VAL210 3.8 32.9 1.0 CD2 A:LEU153 3.8 28.9 1.0 HD22 A:LEU153 3.8 24.0 1.0 HA3 A:GLY212 3.9 40.2 1.0 O A:PHE211 3.9 39.7 1.0 AU A:AU303 3.9 56.8 1.0 HD21 A:LEU153 4.0 24.0 1.0 CB A:VAL210 4.2 30.6 1.0 O A:VAL210 4.3 36.2 1.0 HB3 A:CYS156 4.3 25.9 1.0 CB A:CYS156 4.3 29.9 1.0 HB2 A:CYS156 4.4 25.9 1.0 HG3 A:MET168 4.5 26.1 1.0 HA A:LEU153 4.5 24.4 1.0 C A:PHE211 4.5 38.4 1.0 HG2 A:MET168 4.6 26.1 1.0 HB2 A:MET168 4.6 25.7 1.0 C A:VAL210 4.6 34.3 1.0 HG13 A:VAL210 4.7 32.0 1.0 CA A:GLY212 4.7 38.4 1.0 CG A:MET168 4.9 31.3 1.0 N A:GLY212 4.9 37.2 1.0 H A:MET168 5.0 23.9 1.0

Chlorine binding site 3 out of 14 in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:52.5 occ:1.00 O B:HOH424 2.7 34.2 1.0 O B:HOH427 3.0 32.4 1.0 AU A:AU302 3.5 59.3 1.0 HB3 B:ASP143 3.5 30.3 1.0 O B:HOH436 3.6 29.6 1.0 O B:HOH410 3.7 29.2 1.0 O A:HOH476 3.8 32.4 1.0 O B:PHE141 4.3 38.6 1.0 H B:ASP143 4.3 28.8 1.0 CB B:ASP143 4.3 30.5 1.0 N B:ASP143 4.4 32.3 1.0 OD2 B:ASP143 4.6 30.8 1.0 HG21 A:VAL144 4.7 20.7 1.0 CG B:ASP143 4.7 30.6 1.0 HA B:LEU142 4.7 34.4 1.0 C B:LEU142 4.7 33.4 1.0 C B:PHE141 4.7 38.4 1.0 HA B:ASP143 4.7 29.4 1.0 CA B:ASP143 4.8 31.1 1.0 HG23 A:VAL144 4.8 20.7 1.0 HA B:PHE141 4.9 32.8 1.0

Chlorine binding site 4 out of 14 in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl308 b:26.6 occ:1.00 O B:HOH469 2.2 26.7 1.0 O B:HOH467 2.4 27.5 1.0 HB3 B:CYS156 2.6 40.2 1.0 HG3 B:MET168 3.1 29.6 1.0 HE2 B:MET168 3.3 28.8 1.0 CB B:CYS156 3.4 42.4 1.0 AU B:AU304 3.4 96.7 1.0 HA B:GLN157 3.5 39.4 1.0 HB2 B:CYS156 3.6 40.2 1.0 C B:CYS156 3.6 44.3 1.0 N B:GLN157 3.7 42.0 1.0 O B:CYS156 3.8 44.9 1.0 CG B:MET168 4.0 38.8 1.0 CA B:GLN157 4.0 43.8 1.0 H B:GLN157 4.1 38.9 1.0 CA B:CYS156 4.2 42.1 1.0 CE B:MET168 4.2 40.3 1.0 HG2 B:MET168 4.3 29.6 1.0 SD B:MET168 4.4 40.1 1.0 CB B:GLN157 4.5 44.3 1.0 HA B:CYS156 4.6 39.2 1.0 HE3 B:MET168 4.7 28.8 1.0 SG B:CYS156 4.7 48.0 1.0 HE1 B:MET168 4.7 28.8 1.0

Chlorine binding site 5 out of 14 in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl309 b:47.3 occ:1.00 HH12 B:ARG59 1.8 48.4 1.0 AU B:AU305 2.2 52.9 1.0 NH1 B:ARG59 2.5 54.0 1.0 HH22 B:ARG59 2.7 52.1 1.0 HH11 B:ARG59 3.1 48.4 1.0 NH2 B:ARG59 3.2 58.0 1.0 CZ B:ARG59 3.2 57.0 1.0 HH21 B:ARG59 4.0 52.1 1.0 HG21 B:VAL144 4.2 26.2 1.0 NE B:ARG59 4.4 53.4 1.0 HA B:CYS183 4.5 31.5 1.0 SG B:CYS183 4.5 35.8 1.0 HD3 B:ARG59 4.7 41.2 1.0

Chlorine binding site 6 out of 14 in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl308 b:34.7 occ:1.00 O C:HOH504 2.3 31.2 1.0 O C:HOH499 2.4 29.3 1.0 O C:HOH450 2.4 31.2 1.0 O C:HOH484 2.4 26.4 1.0 O C:HOH487 2.4 30.6 1.0 O C:HOH501 2.7 32.4 1.0 HA3 C:GLY212 3.9 28.8 1.0 HA2 C:GLY212 4.1 28.8 1.0 O C:HOH469 4.2 31.3 1.0 AU C:AU303 4.3 64.1 1.0 HD22 C:LEU153 4.4 23.7 1.0 O C:HOH503 4.4 27.7 1.0 SG C:CYS156 4.4 40.4 1.0 CA C:GLY212 4.5 36.3 1.0 HG2 C:MET168 4.5 25.0 1.0 HD23 C:LEU153 4.6 23.7 1.0 HG3 C:MET168 4.7 25.0 1.0 O C:PHE211 4.8 29.0 1.0 CD2 C:LEU153 4.9 27.9 1.0 HG C:CYS156 4.9 43.0 1.0

Chlorine binding site 7 out of 14 in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl309 b:54.0 occ:1.00 O C:HOH471 2.2 32.4 1.0 HA C:LEU16 2.7 28.8 1.0 O C:LYS15 2.9 55.8 1.0 AU C:AU304 3.1 71.1 1.0 HB3 C:LEU16 3.2 28.8 1.0 O C:HOH492 3.4 50.1 1.0 HD2 C:LYS15 3.4 28.8 1.0 CA C:LEU16 3.5 57.0 1.0 C C:LYS15 3.6 56.9 1.0 CB C:LEU16 3.8 58.2 1.0 N C:LEU16 3.8 56.2 1.0 HB3 C:LYS15 4.0 28.8 1.0 O C:HOH491 4.0 49.5 1.0 HZ2 C:LYS15 4.0 28.8 1.0 HB2 C:LEU16 4.2 28.8 1.0 CD C:LYS15 4.3 52.9 1.0 HE2 C:PHE43 4.4 19.8 1.0 HB3 C:ALA18 4.5 42.6 1.0 H C:LEU16 4.5 28.8 1.0 HD3 C:LYS15 4.5 28.8 1.0 CB C:LYS15 4.7 54.3 1.0 C C:LEU16 4.7 58.6 1.0 HG C:CYS20 4.7 49.0 1.0 CA C:LYS15 4.7 56.3 1.0 H C:ALA18 4.7 43.8 1.0 CE2 C:PHE43 4.8 27.6 1.0 HD23 C:LEU16 4.8 28.8 1.0 NZ C:LYS15 4.9 52.0 1.0 O C:HOH500 5.0 52.0 1.0 O C:HOH427 5.0 47.3 1.0

Chlorine binding site 8 out of 14 in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl306 b:34.6 occ:1.00 O D:HOH482 2.3 31.2 1.0 AU D:AU302 2.6 43.0 1.0 HG11 D:VAL144 4.0 26.7 1.0 O D:HOH489 4.1 31.8 1.0 O D:HOH456 4.5 29.5 1.0 HA C:PHE141 4.6 19.3 1.0 HB D:VAL144 4.7 21.2 1.0 O C:ALA140 4.7 25.2 1.0 HG21 D:VAL144 4.7 20.1 1.0 HA D:CYS183 4.8 25.9 1.0 CG1 D:VAL144 4.9 29.3 1.0 O D:GLY182 5.0 26.4 1.0

Chlorine binding site 9 out of 14 in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl307 b:43.7 occ:1.00 O G:HOH484 2.5 31.2 1.0 O D:HOH427 2.5 26.7 1.0 O C:HOH498 3.0 19.8 1.0 HB3 D:ASP143 3.1 23.8 1.0 O G:HOH473 3.3 28.0 1.0 HA D:ASP143 3.3 24.9 1.0 HH22 C:ARG147 3.5 18.5 1.0 CB D:ASP143 3.8 26.4 1.0 HH12 C:ARG147 3.8 18.8 1.0 CA D:ASP143 3.9 27.3 1.0 HB2 D:ASP143 3.9 23.8 1.0 O D:HOH407 4.1 22.7 1.0 NH2 C:ARG147 4.1 20.1 1.0 N D:ASP143 4.1 28.1 1.0 O D:LEU142 4.1 27.6 1.0 O C:HOH438 4.2 23.0 1.0 C D:LEU142 4.3 27.5 1.0 NH1 C:ARG147 4.4 20.2 1.0 H D:ASP143 4.5 26.4 1.0 HH21 C:ARG147 4.6 18.5 1.0 CZ C:ARG147 4.7 21.1 1.0 O D:HOH435 4.7 21.1 1.0 O D:ALA140 4.9 34.1 1.0 O D:LEU139 4.9 30.7 1.0 O D:HOH460 4.9 31.2 1.0 O C:HOH496 4.9 31.2 1.0 O C:HOH459 4.9 25.1 1.0

Chlorine binding site 10 out of 14 in the Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Pseudomonas Aeruginosa Virulence Factor Regulator with Camp Ligand and Cl(Triethylphosphine)Gold(I) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl307 b:20.9 occ:1.00 O E:HOH467 2.4 32.2 1.0 O E:HOH457 2.5 31.7 1.0 HG E:CYS156 2.6 43.2 1.0 HB E:VAL210 2.8 28.6 1.0 HG11 E:VAL210 2.9 31.1 1.0 HB2 E:CYS156 3.0 29.4 1.0 HG12 E:VAL210 3.2 31.1 1.0 CG1 E:VAL210 3.3 34.3 1.0 SG E:CYS156 3.4 43.2 1.0 HB3 E:CYS156 3.4 29.4 1.0 CB E:CYS156 3.4 35.1 1.0 CB E:VAL210 3.5 32.5 1.0 HD23 E:LEU153 3.5 31.6 1.0 HB2 E:MET168 3.6 24.6 1.0 HG3 E:MET168 3.7 25.7 1.0 HG2 E:MET168 3.7 25.7 1.0 AU E:AU305 3.7 60.9 1.0 HG21 E:VAL210 4.0 28.3 1.0 O E:HOH470 4.0 35.0 1.0 CG E:MET168 4.1 31.1 1.0 O E:VAL210 4.1 36.0 1.0 HA E:LEU153 4.3 29.3 1.0 HG13 E:VAL210 4.3 31.1 1.0 CB E:MET168 4.3 29.7 1.0 CG2 E:VAL210 4.3 31.1 1.0 CD2 E:LEU153 4.4 38.9 1.0 H E:MET168 4.5 27.5 1.0 C E:VAL210 4.6 36.6 1.0 HD22 E:LEU153 4.6 31.6 1.0 CA E:VAL210 4.7 33.2 1.0 O E:HOH462 4.7 32.4 1.0 HG23 E:VAL210 4.7 28.3 1.0 HD21 E:LEU153 4.8 31.6 1.0 CA E:CYS156 4.9 33.7 1.0 N E:MET168 4.9 32.8 1.0 HB3 E:MET168 5.0 24.6 1.0

B.L.A.Chew, D.Luo, L.Yang. Inhibitory Mechanism of Gold Analogues Against Pseudomonas Global Virulence Factor Regulator Vfr To Be Published.