Chlorine in PDB 5tro: 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase Domains (Residues 39-608) of Penicillin-Binding Protein 1 From Staphylococcus Aureus.

The structure of 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase Domains (Residues 39-608) of Penicillin-Binding Protein 1 From Staphylococcus Aureus., PDB code: 5tro was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, S.Grimshaw, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.59 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	178.843, 72.202, 86.362, 90.00, 103.18, 90.00
R / Rfree (%)	17.9 / 20.9

The binding sites of Chlorine atom in the 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase Domains (Residues 39-608) of Penicillin-Binding Protein 1 From Staphylococcus Aureus. (pdb code 5tro). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase Domains (Residues 39-608) of Penicillin-Binding Protein 1 From Staphylococcus Aureus., PDB code: 5tro:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase Domains (Residues 39-608) of Penicillin-Binding Protein 1 From Staphylococcus Aureus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase Domains (Residues 39-608) of Penicillin-Binding Protein 1 From Staphylococcus Aureus. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:40.1 occ:1.00 O A:HOH836 2.9 25.4 1.0 N A:PHE452 3.1 21.7 1.0 N A:VAL453 3.3 22.9 1.0 O A:HOH969 3.3 28.9 1.0 CA A:TRP451 3.6 21.4 1.0 CD1 A:PHE452 3.6 24.7 1.0 CB A:TRP451 3.7 21.5 1.0 C A:TRP451 3.9 21.4 1.0 CB A:VAL453 3.9 25.8 1.0 CE1 A:PHE452 3.9 25.2 1.0 CG2 A:VAL453 4.0 26.3 1.0 SE A:MSE401 4.0 40.8 1.0 CA A:PHE452 4.1 21.9 1.0 C A:PHE452 4.1 22.2 1.0 CB A:MSE401 4.1 31.3 1.0 CA A:VAL453 4.1 23.9 1.0 CG A:MSE401 4.1 35.1 1.0 CG A:PHE452 4.2 23.0 1.0 N A:MSE401 4.4 27.2 1.0 O A:VAL453 4.5 24.4 1.0 CZ A:PHE452 4.6 24.6 1.0 CB A:PHE452 4.7 22.3 1.0 CD2 A:PHE452 4.8 24.9 1.0 OH A:TYR466 4.8 25.6 1.0 C A:VAL453 4.8 25.0 1.0 O A:PRO450 4.8 22.0 1.0 CA A:MSE401 4.9 28.8 1.0 N A:TRP451 5.0 21.3 1.0 CE2 A:PHE452 5.0 24.4 1.0 O A:HOH1059 5.0 26.1 1.0

Chlorine binding site 2 out of 2 in the 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase Domains (Residues 39-608) of Penicillin-Binding Protein 1 From Staphylococcus Aureus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase Domains (Residues 39-608) of Penicillin-Binding Protein 1 From Staphylococcus Aureus. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:46.7 occ:1.00 O B:HOH938 3.0 33.0 1.0 N B:PHE452 3.1 28.2 1.0 N B:VAL453 3.3 27.7 1.0 O B:HOH880 3.4 35.8 1.0 CD1 B:PHE452 3.6 30.6 1.0 CA B:TRP451 3.6 28.2 1.0 CB B:TRP451 3.7 28.4 1.0 C B:TRP451 3.8 29.0 1.0 CE1 B:PHE452 3.8 30.6 1.0 CG B:MSE401 3.9 40.6 1.0 CB B:VAL453 3.9 28.2 1.0 CG2 B:VAL453 4.0 28.6 1.0 CA B:PHE452 4.0 28.4 1.0 SE B:MSE401 4.0 45.8 1.0 CG B:PHE452 4.1 29.6 1.0 C B:PHE452 4.1 27.9 1.0 CB B:MSE401 4.2 36.3 1.0 CA B:VAL453 4.2 28.3 1.0 N B:MSE401 4.4 31.4 1.0 CZ B:PHE452 4.5 31.2 1.0 O B:VAL453 4.6 29.9 1.0 CB B:PHE452 4.6 29.3 1.0 CD2 B:PHE452 4.7 30.9 1.0 O B:PRO450 4.8 29.8 1.0 CE2 B:PHE452 4.9 30.6 1.0 C B:VAL453 4.9 29.4 1.0 CA B:MSE401 4.9 34.0 1.0 N B:TRP451 5.0 28.4 1.0 OH B:TYR306 5.0 34.0 1.0

G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, S.Grimshaw, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase Domains (Residues 39-608) of Penicillin-Binding Protein 1 From Staphylococcus Aureus. To Be Published.