Chlorine in PDB 3oc2: Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa

The structure of Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa, PDB code: 3oc2 was solved by S.Sainsbury, L.Bird, D.I.Stuart, R.J.Owens, J.Ren, Oxford Proteinproduction Facility (Oppf), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.07 / 1.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.761, 81.514, 85.937, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 21.1

The binding sites of Chlorine atom in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa (pdb code 3oc2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa, PDB code: 3oc2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl578 b:66.8 occ:1.00 N A:ARG273 3.0 36.5 1.0 CB A:ARG273 3.8 39.8 1.0 CA A:ARG273 3.9 43.0 1.0 CA A:ASN272 3.9 31.8 1.0 C A:ASN272 3.9 38.0 1.0 CG A:ARG273 4.1 41.6 1.0 O A:ASN271 4.1 29.4 1.0 CZ A:ARG273 4.1 41.9 1.0 C A:ARG273 4.3 48.1 1.0 N A:ASN272 4.3 29.2 1.0 NE A:ARG273 4.3 43.6 1.0 NH2 A:ARG273 4.3 44.1 1.0 C A:ASN271 4.4 29.6 1.0 NH1 A:ARG273 4.4 39.2 1.0 N A:ARG274 4.5 53.1 1.0 CG A:ARG274 4.6 83.3 1.0 OD1 A:ASN272 4.6 51.2 1.0 CD A:ARG273 4.8 41.2 1.0 O A:PRO270 4.9 27.9 1.0 O A:ARG273 5.0 51.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl579 b:47.0 occ:1.00 NH1 A:ARG282 3.8 40.7 1.0 NH1 A:ARG387 3.8 27.7 1.0 NH2 A:ARG282 4.2 32.9 1.0 O A:HOH674 4.4 39.3 1.0 CZ A:ARG282 4.4 38.6 1.0 NE A:ARG387 4.7 23.5 1.0 CZ A:ARG387 4.7 23.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl580 b:56.0 occ:1.00 N A:ASP440 3.3 18.1 1.0 N A:ARG441 3.4 26.3 1.0 O A:ARG441 3.8 25.4 1.0 CA A:VAL439 4.0 21.3 1.0 O A:HOH622 4.1 36.9 1.0 C A:VAL439 4.1 20.0 1.0 CA A:ASP440 4.1 27.0 1.0 O A:ARG438 4.2 18.3 1.0 CA A:ARG441 4.2 26.0 1.0 C A:ASP440 4.3 24.3 1.0 CB A:ASP440 4.3 31.7 1.0 CB A:ARG441 4.3 32.2 1.0 C A:ARG441 4.3 23.7 1.0 CG1 A:VAL439 4.4 21.6 1.0 CB A:VAL439 4.8 20.2 1.0 CG A:ARG441 4.8 40.9 1.0

S.Sainsbury, L.Bird, V.Rao, S.M.Shepherd, D.I.Stuart, W.N.Hunter, R.J.Owens, J.Ren. Crystal Structures of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa: Comparison of Native and Antibiotic-Bound Forms J.Mol.Biol. V. 405 173 2011.
ISSN: ISSN 0022-2836
PubMed: 20974151
DOI: 10.1016/J.JMB.2010.10.024