Atomistry » Chlorine » PDB 7rhm-7rrn » 7rlr
Atomistry »
  Chlorine »
    PDB 7rhm-7rrn »
      7rlr »

Chlorine in PDB 7rlr: Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630

Enzymatic activity of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630

All present enzymatic activity of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630, PDB code: 7rlr was solved by G.Minasov, L.Shuvalova, I.Dubrovska, M.Rosas-Lemus, R.Jedrzejczak, K.J.F.Satchell, 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) 29.71 / 1.88
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.534, 93.621, 138.067, 90, 90, 90
R / Rfree (%) 16.8 / 19.8

Other elements in 7rlr:

The structure of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 (pdb code 7rlr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630, PDB code: 7rlr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 7rlr

Go back to Chlorine Binding Sites List in 7rlr
Chlorine binding site 1 out of 7 in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630


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 K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:16.1
occ:0.35
C A:ACT303 0.4 16.9 0.7
OXT A:ACT303 1.2 14.5 0.7
CH3 A:ACT303 1.4 16.9 0.7
O A:ACT303 1.5 20.0 0.7
OG A:SER80 3.3 18.7 1.0
NE1 A:TRP177 3.6 17.6 1.0
CB A:SER80 3.8 17.7 1.0
O A:HOH413 4.0 22.2 1.0
CG2 A:VAL130 4.0 23.2 1.0
CA A:SER80 4.1 17.8 1.0
CA A:VAL130 4.1 20.8 1.0
CD2 A:TYR133 4.2 21.4 1.0
CB A:TYR133 4.2 21.0 1.0
N A:VAL130 4.4 21.8 1.0
CE2 A:TRP177 4.4 18.0 1.0
O A:SER128 4.4 21.7 1.0
CG A:TYR133 4.4 20.4 1.0
CZ2 A:TRP177 4.5 19.5 1.0
C A:CYS129 4.5 21.4 1.0
C A:SER128 4.6 21.9 1.0
O A:CYS129 4.6 20.9 1.0
CD1 A:TRP177 4.6 17.5 1.0
CB A:VAL130 4.6 22.4 1.0
CB A:ALA83 4.7 21.4 1.0
O A:SER80 4.7 18.6 1.0
CA A:SER128 4.9 23.1 1.0
C A:SER80 4.9 17.7 1.0
N A:CYS129 4.9 22.0 1.0

Chlorine binding site 2 out of 7 in 7rlr

Go back to Chlorine Binding Sites List in 7rlr
Chlorine binding site 2 out of 7 in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630


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 K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:36.1
occ:0.70
CL A:CL302 0.0 36.1 0.7
CL A:CL302 1.5 22.9 0.3
O A:HOH556 2.9 26.5 1.0
N A:ASP42 3.0 27.1 1.0
O A:ASP42 3.4 24.6 1.0
CB A:VAL41 3.5 27.0 1.0
CA A:VAL41 3.8 27.6 1.0
C A:VAL41 3.9 27.2 1.0
CA A:ASP42 4.0 26.9 1.0
C A:ASP42 4.0 25.1 1.0
CG1 A:VAL41 4.2 28.3 1.0
CE1 A:TYR43 4.2 26.5 1.0
CE1 A:TYR285 4.2 32.4 1.0
CD1 A:TYR43 4.5 25.3 1.0
CB A:ASP42 4.5 30.8 1.0
CG2 A:VAL41 4.6 25.8 1.0
CD1 A:TYR285 4.6 32.0 1.0
O A:HOH417 4.9 40.5 1.0

Chlorine binding site 3 out of 7 in 7rlr

Go back to Chlorine Binding Sites List in 7rlr
Chlorine binding site 3 out of 7 in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630


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 K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:22.9
occ:0.30
CL A:CL302 0.0 22.9 0.3
CL A:CL302 1.5 36.1 0.7
O A:HOH556 3.7 26.5 1.0
CB A:VAL41 4.0 27.0 1.0
CG1 A:VAL41 4.1 28.3 1.0
N A:ASP42 4.3 27.1 1.0
CA A:VAL41 4.4 27.6 1.0
O A:HOH417 4.6 40.5 1.0
CE1 A:TYR285 4.8 32.4 1.0
O A:ASP42 4.9 24.6 1.0
C A:VAL41 4.9 27.2 1.0
CD1 A:TYR285 5.0 32.0 1.0

Chlorine binding site 4 out of 7 in 7rlr

Go back to Chlorine Binding Sites List in 7rlr
Chlorine binding site 4 out of 7 in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630


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 K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:14.1
occ:0.45
C B:ACT302 0.3 18.5 0.6
O B:ACT302 1.2 18.1 0.6
OXT B:ACT302 1.4 21.0 0.6
CH3 B:ACT302 1.5 18.2 0.6
OG B:SER80 3.3 22.4 1.0
NE1 B:TRP177 3.6 17.7 1.0
CB B:SER80 3.9 19.7 1.0
O B:HOH414 3.9 24.4 1.0
CA B:SER80 4.1 18.4 1.0
CB B:TYR133 4.1 17.9 1.0
CG2 B:VAL130 4.2 18.9 1.0
CA B:VAL130 4.2 18.1 1.0
CD2 B:TYR133 4.2 17.6 1.0
CG B:TYR133 4.3 17.3 1.0
CE2 B:TRP177 4.5 17.7 1.0
N B:VAL130 4.5 18.5 1.0
CD1 B:TRP177 4.5 17.0 1.0
O B:SER128 4.6 18.9 1.0
O B:CYS129 4.6 18.0 1.0
C B:CYS129 4.6 18.4 1.0
C B:SER128 4.6 20.0 1.0
CZ2 B:TRP177 4.7 18.5 1.0
CB B:ALA83 4.7 18.2 1.0
O B:SER80 4.7 17.1 1.0
CB B:VAL130 4.7 18.3 1.0
C B:SER80 5.0 17.9 1.0
CA B:SER128 5.0 20.6 1.0

Chlorine binding site 5 out of 7 in 7rlr

Go back to Chlorine Binding Sites List in 7rlr
Chlorine binding site 5 out of 7 in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:19.4
occ:0.65
C C:ACT302 0.3 17.8 0.3
O C:ACT302 1.0 18.8 0.3
OXT C:ACT302 1.4 18.0 0.3
CH3 C:ACT302 1.7 17.5 0.3
OG C:SER80 3.3 29.4 1.0
NE1 C:TRP177 3.5 21.7 1.0
O C:HOH407 3.7 29.2 1.0
CB C:SER80 3.9 27.0 1.0
CB C:TYR133 4.0 22.6 1.0
CA C:SER80 4.0 24.8 1.0
CD2 C:TYR133 4.2 21.4 1.0
CG2 C:VAL130 4.2 25.1 1.0
CG C:TYR133 4.2 22.1 1.0
CA C:VAL130 4.3 23.4 1.0
CE2 C:TRP177 4.4 21.5 1.0
CD1 C:TRP177 4.4 22.8 1.0
O C:CYS129 4.6 22.9 1.0
O C:SER128 4.6 24.7 1.0
N C:VAL130 4.6 23.7 1.0
CZ2 C:TRP177 4.6 21.8 1.0
C C:CYS129 4.7 23.4 1.0
C C:SER128 4.7 25.5 1.0
CB C:ALA83 4.7 20.9 1.0
CB C:VAL130 4.8 23.9 1.0
O C:SER80 4.8 23.2 1.0
CD2 C:LEU178 4.9 28.9 1.0
C C:SER80 5.0 23.1 1.0
N C:SER80 5.0 24.0 1.0

Chlorine binding site 6 out of 7 in 7rlr

Go back to Chlorine Binding Sites List in 7rlr
Chlorine binding site 6 out of 7 in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:29.7
occ:0.65
C D:ACT305 0.3 31.6 0.3
OXT D:ACT305 0.9 32.7 0.3
O D:ACT305 1.5 34.1 0.3
CH3 D:ACT305 1.7 30.4 0.3
OG D:SER80 3.4 37.8 1.0
NE1 D:TRP177 3.5 35.8 1.0
O D:HOH417 3.8 45.5 1.0
CB D:SER80 4.0 35.1 1.0
CA D:SER80 4.1 32.4 1.0
CB D:TYR133 4.2 31.7 1.0
CD2 D:TYR133 4.2 31.7 1.0
CA D:VAL130 4.2 39.4 1.0
CG2 D:VAL130 4.2 42.7 1.0
CG D:TYR133 4.4 30.7 1.0
CE2 D:TRP177 4.4 36.7 1.0
O D:SER128 4.4 35.9 1.0
CD1 D:TRP177 4.4 36.4 1.0
O D:CYS129 4.5 38.3 1.0
N D:VAL130 4.5 38.9 1.0
C D:SER128 4.6 37.2 1.0
C D:CYS129 4.6 38.8 1.0
CZ2 D:TRP177 4.6 38.1 1.0
CB D:VAL130 4.8 41.0 1.0
CD2 D:LEU178 4.8 43.9 1.0
CB D:ALA83 4.8 28.8 1.0
O D:SER80 4.8 29.8 1.0
CA D:SER128 4.9 36.5 1.0

Chlorine binding site 7 out of 7 in 7rlr

Go back to Chlorine Binding Sites List in 7rlr
Chlorine binding site 7 out of 7 in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl304

b:63.7
occ:1.00
OG D:SER128 3.2 39.4 1.0
OG1 D:THR230 3.4 39.6 1.0
OG1 D:THR232 3.7 43.3 1.0
N D:THR232 3.8 40.8 1.0
CB D:SER128 3.9 37.7 1.0
N D:GLY231 3.9 35.2 1.0
CA D:GLY231 4.0 38.6 1.0
C D:THR230 4.0 34.9 1.0
O D:HOH483 4.0 44.4 1.0
C D:GLY231 4.0 38.6 1.0
O D:THR230 4.0 32.8 1.0
CB D:THR230 4.1 35.2 1.0
CB D:THR232 4.1 45.7 1.0
O D:HOH469 4.3 24.2 0.5
CB D:SER80 4.4 35.1 1.0
NZ D:LYS229 4.4 31.2 1.0
OG D:SER80 4.6 37.8 1.0
CA D:THR232 4.6 43.6 1.0
CA D:THR230 4.7 34.4 1.0
O D:GLY231 4.8 37.6 1.0
CD D:PRO272 4.9 40.7 1.0
O D:HOH432 4.9 46.6 1.0

Reference:

G.Minasov, L.Shuvalova, I.Dubrovska, M.Rosas-Lemus, R.Jedrzejczak, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 To Be Published.
Page generated: Sun Jul 13 06:43:47 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy