Chlorine in PDB 6x9n: Pseudomonas Aeruginosa Murc with AZ5595

Enzymatic activity of Pseudomonas Aeruginosa Murc with AZ5595

All present enzymatic activity of Pseudomonas Aeruginosa Murc with AZ5595:
6.3.2.8;

Protein crystallography data

The structure of Pseudomonas Aeruginosa Murc with AZ5595, PDB code: 6x9n 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) 47.75 / 2.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 285.650, 109.100, 108.430, 90.00, 112.28, 90.00
R / Rfree (%) 18.1 / 22.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Murc with AZ5595 (pdb code 6x9n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Pseudomonas Aeruginosa Murc with AZ5595, PDB code: 6x9n:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6x9n

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Chlorine binding site 1 out of 8 in the Pseudomonas Aeruginosa Murc with AZ5595


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 AZ5595 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:64.9
occ:1.00
 N A:VAL101 3.4 43.8 1.0
O A:VAL101 3.6 57.6 1.0
CB A:VAL101 4.1 43.0 1.0
CA A:VAL101 4.1 47.9 1.0
CA G:ALA240 4.2 46.1 1.0
CB G:ALA240 4.2 45.6 1.0
CD2 A:LEU95 4.2 62.2 1.0
CA A:PRO100 4.2 37.7 1.0
C A:VAL101 4.3 55.4 1.0
C A:PRO100 4.3 45.7 1.0
O A:HOH630 4.4 51.1 1.0
O G:ILE239 4.5 47.7 1.0
CG2 A:VAL101 4.7 41.8 1.0
N G:ALA240 4.9 44.4 1.0
O A:ILE99 4.9 41.7 1.0
O G:PRO237 5.0 40.1 1.0
CB A:PRO100 5.0 35.9 1.0

Chlorine binding site 2 out of 8 in 6x9n

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Chlorine binding site 2 out of 8 in the Pseudomonas Aeruginosa Murc with AZ5595


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 AZ5595 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl513

b:64.4
occ:1.00
 N B:VAL101 3.3 41.8 1.0
CA E:ALA240 3.8 38.6 1.0
CA B:PRO100 3.8 39.1 1.0
O B:VAL101 3.8 41.9 1.0
CB E:ALA240 3.9 37.6 1.0
O E:ILE239 4.0 50.5 1.0
C B:PRO100 4.1 45.6 1.0
CA B:VAL101 4.2 44.9 1.0
CB B:VAL101 4.3 41.4 1.0
C B:VAL101 4.4 50.0 1.0
CB B:PRO100 4.5 35.0 1.0
CD2 B:LEU95 4.5 56.2 1.0
O B:HOH617 4.6 53.5 1.0
N E:ALA240 4.6 40.6 1.0
C E:ILE239 4.6 43.9 1.0
O B:ILE99 4.7 43.5 1.0
CG2 B:VAL101 4.9 40.5 1.0
C E:ALA240 4.9 32.5 1.0
N B:PRO100 5.0 41.8 1.0

Chlorine binding site 3 out of 8 in 6x9n

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Chlorine binding site 3 out of 8 in the Pseudomonas Aeruginosa Murc with AZ5595


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 AZ5595 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl507

b:78.6
occ:1.00
 N C:VAL101 3.7 43.2 1.0
O C:VAL101 3.7 50.6 1.0
CB D:ALA240 3.9 42.6 1.0
CA D:ALA240 3.9 40.3 1.0
CD2 C:LEU95 4.1 67.6 1.0
O D:ILE239 4.1 55.2 1.0
O C:HOH611 4.2 62.1 1.0
CB C:VAL101 4.3 45.7 1.0
CA C:VAL101 4.3 48.3 1.0
C C:VAL101 4.4 52.3 1.0
CA C:PRO100 4.5 37.1 1.0
C C:PRO100 4.6 45.0 1.0
N D:ALA240 4.6 45.2 1.0
O D:HOH697 4.6 60.3 1.0
O D:PRO237 4.7 46.2 1.0
C D:ILE239 4.7 49.0 1.0
CG2 C:VAL101 4.7 43.2 1.0

Chlorine binding site 4 out of 8 in 6x9n

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Chlorine binding site 4 out of 8 in the Pseudomonas Aeruginosa Murc with AZ5595


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 AZ5595 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl508

b:75.1
occ:1.00
 N D:VAL101 3.4 45.2 1.0
O D:VAL101 3.7 48.6 1.0
CA C:ALA240 4.0 36.9 1.0
CB C:ALA240 4.1 36.2 1.0
O C:ILE239 4.2 46.8 1.0
CB D:VAL101 4.2 45.0 1.0
CA D:PRO100 4.2 38.2 1.0
CA D:VAL101 4.2 44.9 1.0
CD2 D:LEU95 4.2 59.2 1.0
C D:PRO100 4.3 43.1 1.0
C D:VAL101 4.4 47.8 1.0
O D:HOH630 4.5 52.4 1.0
CG2 D:VAL101 4.6 36.8 1.0
N C:ALA240 4.7 42.2 1.0
C C:ILE239 4.8 44.1 1.0
O C:PRO237 4.8 41.1 1.0
CB D:PRO100 4.9 34.1 1.0
O D:ILE99 4.9 44.4 1.0

Chlorine binding site 5 out of 8 in 6x9n

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Chlorine binding site 5 out of 8 in the Pseudomonas Aeruginosa Murc with AZ5595


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 AZ5595 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl508

b:60.1
occ:1.00
 N E:VAL101 3.2 40.3 1.0
O E:VAL101 3.7 38.5 1.0
CA E:PRO100 3.9 35.7 1.0
CA B:ALA240 3.9 33.7 1.0
CB B:ALA240 4.0 39.4 1.0
C E:PRO100 4.1 38.0 1.0
CA E:VAL101 4.1 41.9 1.0
CB E:VAL101 4.2 37.4 1.0
O B:ILE239 4.2 40.9 1.0
CD2 E:LEU95 4.3 51.9 1.0
C E:VAL101 4.3 43.9 1.0
O E:HOH606 4.5 61.6 1.0
CB E:PRO100 4.6 33.3 1.0
CG2 E:VAL101 4.6 34.9 1.0
O E:ILE99 4.7 36.6 1.0
N B:ALA240 4.7 37.0 1.0
C B:ILE239 4.8 40.4 1.0
C B:ALA240 5.0 31.9 1.0
N E:PRO100 5.0 32.8 1.0

Chlorine binding site 6 out of 8 in 6x9n

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Chlorine binding site 6 out of 8 in the Pseudomonas Aeruginosa Murc with AZ5595


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Pseudomonas Aeruginosa Murc with AZ5595 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl509

b:68.9
occ:1.00
 N F:VAL101 3.2 41.5 1.0
O F:VAL101 3.8 43.7 1.0
CA F:PRO100 3.8 38.5 1.0
CA H:ALA240 3.9 35.3 1.0
CB H:ALA240 4.0 34.4 1.0
C F:PRO100 4.0 41.0 1.0
CA F:VAL101 4.1 45.5 1.0
O H:ILE239 4.1 43.7 1.0
CB F:VAL101 4.1 42.2 1.0
C F:VAL101 4.3 48.5 1.0
CD2 F:LEU95 4.4 52.4 1.0
O H:HOH692 4.5 68.3 1.0
CB F:PRO100 4.5 39.9 1.0
O F:ILE99 4.6 47.9 1.0
N H:ALA240 4.6 38.7 1.0
C H:ILE239 4.7 38.6 1.0
CG2 F:VAL101 4.7 39.6 1.0
N F:PRO100 4.9 38.6 1.0
C H:ALA240 4.9 36.2 1.0

Chlorine binding site 7 out of 8 in 6x9n

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Chlorine binding site 7 out of 8 in the Pseudomonas Aeruginosa Murc with AZ5595


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Pseudomonas Aeruginosa Murc with AZ5595 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl506

b:78.2
occ:1.00
 N G:VAL101 3.7 45.2 1.0
O G:VAL101 3.8 52.8 1.0
CB A:ALA240 3.9 40.4 1.0
CA A:ALA240 4.0 40.5 1.0
O A:ILE239 4.2 57.5 1.0
CD2 G:LEU95 4.3 63.3 1.0
CB G:VAL101 4.3 43.5 1.0
O G:HOH664 4.4 64.0 1.0
CA G:VAL101 4.4 45.5 1.0
CA G:PRO100 4.5 41.1 1.0
C G:VAL101 4.5 52.0 1.0
C G:PRO100 4.6 44.8 1.0
N A:ALA240 4.6 45.2 1.0
O A:PRO237 4.7 46.3 1.0
C A:ILE239 4.7 49.2 1.0
CG2 G:VAL101 4.9 37.4 1.0

Chlorine binding site 8 out of 8 in 6x9n

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Chlorine binding site 8 out of 8 in the Pseudomonas Aeruginosa Murc with AZ5595


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Pseudomonas Aeruginosa Murc with AZ5595 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl507

b:69.0
occ:1.00
 O H:HOH687 3.1 65.8 1.0
N H:VAL101 3.3 38.4 1.0
O H:VAL101 3.7 47.1 1.0
CA F:ALA240 3.9 39.7 1.0
CB F:ALA240 3.9 42.8 1.0
O F:HOH648 4.0 62.2 1.0
CA H:PRO100 4.0 38.1 1.0
CA H:VAL101 4.1 40.8 1.0
CB H:VAL101 4.1 40.5 1.0
C H:PRO100 4.2 40.7 1.0
O F:ILE239 4.3 49.0 1.0
C H:VAL101 4.3 49.4 1.0
O H:HOH607 4.3 58.4 1.0
CD2 H:LEU95 4.3 58.5 1.0
CB H:PRO100 4.7 36.9 1.0
N F:ALA240 4.7 40.9 1.0
CG2 H:VAL101 4.7 40.6 1.0
C F:ILE239 4.8 46.0 1.0
O H:ILE99 4.8 44.1 1.0
C F:ALA240 4.9 38.4 1.0

Reference:

P.S.Horanyi, S.J.Mayclin, T.F.Durand-Reville, D.D.Lorimer, T.E.Edwards. Pseudomonas Aeruginosa Murc with AZ5595 To Be Published.
Page generated: Sat Dec 12 14:34:58 2020

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