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Chlorine in PDB 5df7: Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin

Enzymatic activity of Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin

All present enzymatic activity of Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin:
2.4.1.129;

Protein crystallography data

The structure of Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin, PDB code: 5df7 was solved by J.Ren, J.E.Nettleship, A.Males, D.I.Stuart, R.J.Owens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.19 / 2.00
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 57.253, 74.919, 82.722, 71.26, 85.99, 85.69
R / Rfree (%) 19.8 / 23.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin (pdb code 5df7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin, PDB code: 5df7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5df7

Go back to Chlorine Binding Sites List in 5df7
Chlorine binding site 1 out of 4 in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin


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 in Complex with Azlocillin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:55.7
occ:1.00
 N A:ASN501 3.3 36.5 1.0
O A:HOH870 3.5 38.6 1.0
NE A:ARG499 3.6 42.9 1.0
CB A:ARG499 3.7 35.4 1.0
NH1 A:ARG499 3.8 46.3 1.0
C A:ASN501 3.8 34.5 1.0
CA A:ASN501 3.8 41.8 1.0
N A:GLU500 3.9 40.8 1.0
N A:ALA502 4.0 31.0 1.0
CB A:ASN501 4.0 45.3 1.0
CG A:GLU500 4.0 60.9 1.0
CZ A:ARG499 4.0 45.8 1.0
CB A:ALA502 4.1 23.6 1.0
O A:ASN501 4.2 37.2 1.0
C A:GLU500 4.4 42.5 1.0
C A:ARG499 4.4 40.3 1.0
CA A:ARG499 4.4 40.4 1.0
CG A:ARG499 4.5 35.3 1.0
CA A:GLU500 4.5 42.5 1.0
CD A:ARG499 4.6 34.4 1.0
CA A:ALA502 4.7 23.1 1.0
CB A:GLU500 4.9 46.9 1.0
CG A:ASN501 5.0 64.4 1.0

Chlorine binding site 2 out of 4 in 5df7

Go back to Chlorine Binding Sites List in 5df7
Chlorine binding site 2 out of 4 in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin


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 in Complex with Azlocillin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl604

b:47.7
occ:1.00
 O A:HOH850 3.2 45.7 1.0
NH1 B:ARG473 3.2 29.5 1.0
NH2 B:ARG473 3.3 29.3 1.0
NH2 A:ARG175 3.3 70.8 1.0
NE A:ARG175 3.6 59.0 1.0
CZ A:ARG175 3.7 61.0 1.0
CZ B:ARG473 3.7 30.6 1.0
CE1 A:PHE167 3.8 21.1 1.0
CE2 B:PHE472 4.0 33.0 1.0
CZ B:PHE472 4.1 29.5 1.0
CZ A:PHE167 4.2 21.0 1.0
O B:HOH847 4.4 44.0 1.0
CD2 B:LEU536 4.5 39.2 1.0
CB A:ARG175 4.5 32.5 1.0
CG A:ARG175 4.5 45.2 1.0
CD A:ARG175 4.7 47.2 1.0
NH1 A:ARG175 4.7 64.7 1.0
O A:HOH854 4.9 49.0 1.0
CD1 A:PHE167 5.0 27.8 1.0

Chlorine binding site 3 out of 4 in 5df7

Go back to Chlorine Binding Sites List in 5df7
Chlorine binding site 3 out of 4 in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin


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 in Complex with Azlocillin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:39.0
occ:1.00
 N B:VAL491 3.2 33.1 1.0
NH1 B:ARG504 3.3 23.5 1.0
O B:HOH827 3.5 28.4 1.0
NH2 B:ARG504 3.7 22.2 1.0
CA B:LYS490 3.7 29.7 1.0
CB B:LYS490 3.8 29.8 1.0
NZ B:LYS490 3.9 47.9 1.0
CG B:LYS490 3.9 33.1 1.0
CG2 B:VAL491 3.9 36.4 1.0
CZ B:ARG504 3.9 25.5 1.0
C B:LYS490 4.0 30.3 1.0
CB B:VAL491 4.0 37.2 1.0
CA B:VAL491 4.2 36.9 1.0
CE B:LYS490 4.5 35.8 1.0
O B:HOH768 4.7 22.4 1.0
O B:VAL491 4.7 38.0 1.0
CD B:LYS490 4.8 35.8 1.0
C B:VAL491 5.0 36.0 1.0

Chlorine binding site 4 out of 4 in 5df7

Go back to Chlorine Binding Sites List in 5df7
Chlorine binding site 4 out of 4 in the Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Penicillin-Binding Protein 3 From Pseudomonas Aeruginosa in Complex with Azlocillin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl606

b:35.9
occ:1.00
 O B:HOH802 2.9 39.2 1.0
NE B:ARG175 3.1 49.1 1.0
NH2 B:ARG175 3.6 50.2 1.0
CE1 B:PHE167 3.7 28.9 1.0
CG B:ARG175 3.8 41.6 1.0
CZ B:ARG175 3.8 46.2 1.0
CD B:ARG175 4.0 46.7 1.0
CZ B:PHE167 4.1 26.9 1.0
CB B:ARG175 4.8 30.4 1.0
CD1 B:PHE167 4.9 30.3 1.0

Reference:

J.Ren, J.E.Nettleship, A.Males, D.I.Stuart, R.J.Owens. Crystal Structures of Penicillin-Binding Protein 3 in Complexes with Azlocillin and Cefoperazone in Both Acylated and Deacylated Forms. Febs Lett. V. 590 288 2016.
ISSN: ISSN 0014-5793
PubMed: 26823174
DOI: 10.1002/1873-3468.12054
Page generated: Fri Jul 26 06:39:58 2024

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