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Chlorine in PDB 4r4r: Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution

Enzymatic activity of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution, PDB code: 4r4r was solved by J.Park, S.Gobeil, J.N.Pelletier, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.13 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.690, 58.790, 109.830, 90.00, 90.00, 90.00
R / Rfree (%) 10.5 / 13.8

Other elements in 4r4r:

The structure of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution (pdb code 4r4r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution, PDB code: 4r4r:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4r4r

Go back to Chlorine Binding Sites List in 4r4r
Chlorine binding site 1 out of 4 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution


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 Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:9.2
occ:1.00
 O A:HOH447 3.2 13.2 1.0
NH2 A:ARG93 3.3 8.0 1.0
NH1 A:ARG93 3.3 8.9 1.0
CA A:THR141 3.7 5.4 1.0
CZ A:ARG93 3.8 8.0 1.0
CG2 A:THR141 4.0 6.9 1.0
CB A:THR141 4.2 6.0 1.0
N A:THR141 4.2 4.7 1.0
CG2 A:THR140 4.2 6.4 1.0
O A:THR140 4.3 5.5 1.0
C A:THR140 4.4 4.8 1.0
O A:THR141 4.6 6.8 1.0
C A:THR141 4.7 5.7 1.0
CD1 A:ILE95 4.8 10.2 1.0

Chlorine binding site 2 out of 4 in 4r4r

Go back to Chlorine Binding Sites List in 4r4r
Chlorine binding site 2 out of 4 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution


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 Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:13.9
occ:1.00
 O A:HOH428 3.0 13.8 1.0
O A:HOH440 3.1 13.0 1.0
O A:HOH541 3.1 24.7 1.0
N A:LEU220 3.3 9.1 1.0
CA A:GLY218 3.5 12.8 1.0
N A:PRO219 3.6 9.3 1.0
C A:GLY218 3.6 11.0 1.0
CB A:LEU220 3.6 11.2 1.0
CD A:PRO219 3.6 10.0 1.0
CG A:LEU220 3.7 11.1 1.0
CB A:SER235 3.9 9.8 1.0
CA A:LEU220 4.0 10.8 1.0
OG A:SER235 4.1 15.9 1.0
CG A:PRO219 4.1 10.9 1.0
CD1 A:LEU220 4.2 12.1 1.0
CD1 A:ILE246 4.2 11.3 1.0
O A:GLY218 4.2 13.9 1.0
C A:PRO219 4.3 9.5 1.0
CA A:PRO219 4.5 9.3 1.0
O A:ALA217 4.5 17.6 1.0
N A:LEU221 4.6 12.9 1.0
OD2 A:ASP233 4.6 12.8 0.5
N A:GLY218 4.7 12.5 1.0
C A:LEU220 4.9 12.8 1.0
O A:HOH641 4.9 30.9 1.0
CD2 A:LEU220 5.0 12.0 1.0

Chlorine binding site 3 out of 4 in 4r4r

Go back to Chlorine Binding Sites List in 4r4r
Chlorine binding site 3 out of 4 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution


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 Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:12.4
occ:0.82
 O A:HOH611 3.0 20.9 1.0
O A:HOH488 3.0 17.6 1.0
O A:HOH684 3.2 27.1 0.5
N A:GLU63 3.2 7.5 1.0
CD A:PRO62 3.6 9.2 1.0
N A:PRO62 3.6 8.1 1.0
C A:ARG61 3.6 7.8 1.0
CA A:ARG61 3.7 7.4 0.5
CA A:ARG61 3.7 7.7 0.5
CA A:GLU63 3.8 7.9 1.0
CB A:GLU63 3.8 11.3 1.0
N A:GLU64 3.8 7.0 1.0
CG A:GLU64 4.0 9.1 1.0
C A:GLU63 4.0 7.6 1.0
CG A:PRO62 4.1 10.9 1.0
O A:HOH684 4.2 24.8 0.5
O A:HOH729 4.2 31.2 1.0
O A:ARG61 4.2 8.0 1.0
C A:PRO62 4.3 7.6 1.0
CA A:PRO62 4.4 9.1 1.0
CG A:GLU63 4.6 14.6 1.0
N A:ARG61 4.6 7.4 1.0
CB A:ARG61 4.7 7.8 0.5
CB A:ARG61 4.7 8.3 0.5
OE2 A:GLU64 4.7 12.5 1.0
CA A:GLU64 4.8 7.4 1.0
O A:GLU63 4.8 9.5 1.0
CB A:GLU64 4.8 8.6 1.0
CD A:GLU64 4.9 10.1 1.0
CB A:PRO62 5.0 11.3 1.0

Chlorine binding site 4 out of 4 in 4r4r

Go back to Chlorine Binding Sites List in 4r4r
Chlorine binding site 4 out of 4 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution


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 Chimeric Beta-Lactamase Ctem-19M at 1.2 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:17.5
occ:0.79
 O A:HOH464 3.0 17.4 1.0
N A:ARG61 3.2 7.4 1.0
O A:HOH706 3.5 21.8 0.5
CA A:PHE60 3.8 8.2 1.0
C A:PHE60 4.0 7.0 1.0
CD A:PRO62 4.0 9.2 1.0
CA A:ARG61 4.1 7.7 0.5
CA A:ARG61 4.1 7.4 0.5
O A:HOH706 4.3 28.2 0.6
CD1 A:PHE60 4.3 11.8 1.0
O A:HOH488 4.4 17.6 1.0
O A:SER59 4.6 10.3 1.0
CG A:PHE60 4.6 8.4 1.0
CE1 A:PHE60 4.6 13.8 1.0
N A:PHE60 4.7 8.2 1.0
CB A:PHE60 4.8 9.3 1.0
CG A:ARG61 4.9 8.4 0.5
C A:SER59 5.0 8.7 1.0
N A:PRO62 5.0 8.1 1.0

Reference:

J.Park, S.Gobeil, J.N.Pelletier, A.M.Berghuis. Crystal Structures of Chimeric Beta-Lactamase Ctem-19M To Be Published.
Page generated: Fri Jul 26 01:05:02 2024

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