Chlorine in PDB 7rjj: Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (Ompa) From Klebsiella Pneumoniae with Bound D- Alanine

The structure of Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (Ompa) From Klebsiella Pneumoniae with Bound D- Alanine, PDB code: 7rjj was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, K.J.F.Satchell, Centerfor 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)	28.16 / 1.88
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	41.887, 41.887, 267.934, 90, 90, 120
R / Rfree (%)	20.1 / 22.8

The binding sites of Chlorine atom in the Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (Ompa) From Klebsiella Pneumoniae with Bound D- Alanine (pdb code 7rjj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (Ompa) From Klebsiella Pneumoniae with Bound D- Alanine, PDB code: 7rjj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (Ompa) From Klebsiella Pneumoniae with Bound D- Alanine


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 the Peptidoglycan Binding Domain of the Outer Membrane Protein (Ompa) From Klebsiella Pneumoniae with Bound D- Alanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:49.2 occ:1.00 N A:TRP444 3.3 27.1 1.0 CD2 A:TRP444 3.4 30.8 1.0 CD A:LYS443 3.5 37.0 1.0 CE3 A:TRP444 3.6 32.3 1.0 CE2 A:TRP444 3.6 32.3 1.0 CA A:LYS443 3.6 29.9 1.0 N A:VAL445 3.7 28.2 1.0 CG1 A:VAL445 3.7 34.0 1.0 CZ3 A:TRP444 3.9 35.1 1.0 CB A:LYS443 3.9 31.3 1.0 CG2 A:VAL445 3.9 34.1 1.0 CG A:TRP444 3.9 28.2 1.0 CZ2 A:TRP444 3.9 35.6 1.0 C A:LYS443 4.0 27.0 1.0 CH2 A:TRP444 4.0 36.7 1.0 NE1 A:TRP444 4.1 30.6 1.0 CB A:VAL445 4.3 32.1 1.0 CA A:TRP444 4.3 25.9 1.0 CG A:LYS443 4.3 34.6 1.0 CD1 A:TRP444 4.3 28.9 1.0 C A:TRP444 4.4 26.3 1.0 CA A:VAL445 4.6 29.1 1.0 CB A:TRP444 4.7 26.2 1.0 O A:GLY442 4.7 31.9 1.0 CE A:LYS443 4.7 40.8 1.0 N A:LYS443 4.9 29.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (Ompa) From Klebsiella Pneumoniae with Bound D- Alanine


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 the Peptidoglycan Binding Domain of the Outer Membrane Protein (Ompa) From Klebsiella Pneumoniae with Bound D- Alanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:38.1 occ:1.00 N B:TRP444 3.2 28.4 1.0 CD2 B:TRP444 3.5 33.3 1.0 N B:VAL445 3.5 28.3 1.0 CG1 B:VAL445 3.6 33.9 1.0 CE2 B:TRP444 3.6 35.2 1.0 CA B:LYS443 3.7 31.3 1.0 CE3 B:TRP444 3.7 35.1 1.0 CB B:LYS443 3.8 32.5 1.0 CG2 B:VAL445 3.8 34.0 1.0 CG B:TRP444 3.8 30.4 1.0 CD B:LYS443 3.9 38.5 1.0 C B:LYS443 3.9 28.4 1.0 CZ2 B:TRP444 4.1 38.8 1.0 NE1 B:TRP444 4.1 33.4 1.0 CZ3 B:TRP444 4.1 38.2 1.0 CB B:VAL445 4.1 31.9 1.0 CA B:TRP444 4.1 27.0 1.0 CD1 B:TRP444 4.2 31.2 1.0 C B:TRP444 4.2 26.9 1.0 CH2 B:TRP444 4.3 40.1 1.0 CG B:LYS443 4.4 35.9 1.0 CA B:VAL445 4.4 28.9 1.0 CB B:TRP444 4.5 27.7 1.0 O B:GLY442 4.9 33.4 1.0

G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (Ompa) From Klebsiella Pneumoniae with Bound D-Alanine. To Be Published.