Chlorine in PDB 6x9f: Pseudomonas Aeruginosa Murc with AZ8074

All present enzymatic activity of Pseudomonas Aeruginosa Murc with AZ8074:
6.3.2.8;

The structure of Pseudomonas Aeruginosa Murc with AZ8074, PDB code: 6x9f was solved by P.S.Horanyi, S.J.Mayclin, T.F.Durand-Reville, D.D.Lorimer, T.E.Edwards, Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.67 / 2.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	284.690, 109.050, 108.200, 90.00, 112.26, 90.00
R / Rfree (%)	18.3 / 21.9

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Murc with AZ8074 (pdb code 6x9f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Pseudomonas Aeruginosa Murc with AZ8074, PDB code: 6x9f:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Pseudomonas Aeruginosa Murc with AZ8074


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Aeruginosa Murc with AZ8074 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl508 b:97.3 occ:1.00 N D:VAL94 3.5 46.7 1.0 O D:VAL94 3.7 46.0 1.0 CD2 D:LEU88 4.0 58.8 1.0 CA C:ALA233 4.1 41.1 1.0 CB D:VAL94 4.1 45.6 1.0 O C:ILE232 4.2 57.6 1.0 CA D:PRO93 4.2 46.1 1.0 CA D:VAL94 4.2 42.1 1.0 CB C:ALA233 4.2 38.6 1.0 C D:PRO93 4.3 48.7 1.0 C D:VAL94 4.4 44.7 1.0 CG2 D:VAL94 4.5 44.0 1.0 O D:HOH618 4.6 62.5 1.0 O C:PRO230 4.6 51.0 1.0 C C:ILE232 4.8 47.5 1.0 N C:ALA233 4.8 42.9 1.0 O D:ILE92 4.9 54.0 1.0 CB D:PRO93 5.0 45.3 1.0

Chlorine binding site 2 out of 5 in the Pseudomonas Aeruginosa Murc with AZ8074


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pseudomonas Aeruginosa Murc with AZ8074 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl508 b:0.0 occ:1.00 N E:VAL94 3.4 35.3 1.0 O E:VAL94 3.7 43.7 1.0 CB B:ALA233 4.0 34.1 1.0 CA E:PRO93 4.1 44.1 1.0 CA B:ALA233 4.1 40.0 1.0 CA E:VAL94 4.2 39.3 1.0 CB E:VAL94 4.2 39.1 1.0 C E:PRO93 4.3 36.9 1.0 CD2 E:LEU88 4.3 48.8 1.0 C E:VAL94 4.4 44.7 1.0 O B:ILE232 4.4 54.7 1.0 CG2 E:VAL94 4.6 36.2 1.0 O B:PRO230 4.8 47.0 1.0 CD1 E:ILE77 4.8 67.4 1.0 CB E:PRO93 4.8 42.6 1.0 O E:ILE92 4.8 50.6 1.0 N B:ALA233 4.9 36.8 1.0 C B:ILE232 4.9 46.4 1.0

Chlorine binding site 3 out of 5 in the Pseudomonas Aeruginosa Murc with AZ8074


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pseudomonas Aeruginosa Murc with AZ8074 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl506 b:98.4 occ:1.00 N F:VAL94 3.1 45.4 1.0 O F:HOH641 3.3 61.9 1.0 O F:VAL94 3.3 47.5 1.0 CB H:ALA233 3.8 33.7 1.0 CA F:PRO93 3.9 40.0 1.0 CA F:VAL94 3.9 44.3 1.0 CA H:ALA233 4.0 39.8 1.0 C F:VAL94 4.0 45.7 1.0 C F:PRO93 4.0 45.9 1.0 CB F:VAL94 4.0 44.9 1.0 CD2 F:LEU88 4.3 52.9 1.0 O H:ILE232 4.4 43.7 1.0 O F:ILE92 4.6 55.7 1.0 CB F:PRO93 4.7 37.6 1.0 CG2 F:VAL94 4.7 39.6 1.0 N H:ALA233 4.8 38.2 1.0 C H:ILE232 4.9 42.2 1.0 O H:PRO230 5.0 51.3 1.0

Chlorine binding site 4 out of 5 in the Pseudomonas Aeruginosa Murc with AZ8074


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pseudomonas Aeruginosa Murc with AZ8074 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl505 b:85.6 occ:1.00 N G:VAL94 3.5 54.3 1.0 O G:VAL94 3.7 59.6 1.0 CA A:ALA233 4.1 44.6 1.0 CB A:ALA233 4.1 40.5 1.0 CD2 G:LEU88 4.1 57.6 1.0 CB G:VAL94 4.1 47.7 1.0 CA G:VAL94 4.2 48.2 1.0 O A:ILE232 4.2 61.5 1.0 CA G:PRO93 4.3 48.6 1.0 C G:VAL94 4.4 54.0 1.0 C G:PRO93 4.4 51.2 1.0 O A:PRO230 4.7 51.4 1.0 CG2 G:VAL94 4.7 44.6 1.0 N A:ALA233 4.8 44.0 1.0 C A:ILE232 4.8 50.6 1.0 CB G:PRO93 5.0 45.3 1.0

Chlorine binding site 5 out of 5 in the Pseudomonas Aeruginosa Murc with AZ8074


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Pseudomonas Aeruginosa Murc with AZ8074 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl506 b:0.8 occ:1.00 N H:VAL94 3.4 46.0 1.0 O H:HOH628 3.4 60.4 1.0 O H:VAL94 3.6 48.5 1.0 CB F:ALA233 3.9 38.0 1.0 O H:HOH601 4.0 57.1 1.0 CA F:ALA233 4.0 42.2 1.0 CA H:VAL94 4.2 44.9 1.0 CB H:VAL94 4.2 41.4 1.0 CA H:PRO93 4.2 46.5 1.0 C H:VAL94 4.3 50.7 1.0 CD2 H:LEU88 4.3 47.0 1.0 C H:PRO93 4.3 48.8 1.0 O F:ILE232 4.4 55.2 1.0 O F:HOH634 4.4 63.8 1.0 CG2 H:VAL94 4.8 41.5 1.0 O F:PRO230 4.8 53.5 1.0 N F:ALA233 4.8 39.8 1.0 C F:ILE232 4.9 48.6 1.0 O H:ILE92 4.9 52.9 1.0 CB H:PRO93 5.0 43.5 1.0

P.S.Horanyi, S.J.Mayclin, T.F.Durand-Reville, D.D.Lorimer, T.E.Edwards. Pseudomonas Aeruginosa Murc with AZ8074 To Be Published.