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Chlorine in PDB 4r4s: Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution

Enzymatic activity of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution, PDB code: 4r4s 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) 51.77 / 1.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.710, 58.710, 109.770, 90.00, 90.00, 90.00
R / Rfree (%) 10.4 / 12.8

Other elements in 4r4s:

The structure of Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution (pdb code 4r4s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution, PDB code: 4r4s:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4r4s

Go back to Chlorine Binding Sites List in 4r4s
Chlorine binding site 1 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 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 1.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:7.7
occ:1.00
 O A:HOH459 3.2 10.4 1.0
N A:LEU174 3.2 7.7 1.0
CA A:LYS173 3.8 6.9 0.4
CA A:LYS173 3.8 7.7 0.6
CB A:LYS173 3.9 8.1 0.4
CB A:LEU174 3.9 8.1 1.0
CG A:LEU174 3.9 9.2 1.0
CG A:LYS173 4.0 10.2 0.6
C A:LYS173 4.0 7.4 0.4
C A:LYS173 4.0 8.2 0.6
NE A:ARG241 4.0 5.8 1.0
CA A:LEU174 4.2 8.5 1.0
CD A:ARG241 4.2 6.2 1.0
CD1 A:LEU174 4.3 10.8 1.0
CB A:LYS173 4.3 10.2 0.6
CG A:LYS173 4.4 10.6 0.4
O A:LEU174 4.8 12.0 1.0
CE A:LYS173 4.8 14.4 0.4
NZ A:LYS173 4.8 13.9 0.4

Chlorine binding site 2 out of 5 in 4r4s

Go back to Chlorine Binding Sites List in 4r4s
Chlorine binding site 2 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 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 1.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:11.5
occ:1.00
 O A:HOH438 3.1 12.1 1.0
O A:HOH437 3.1 10.8 1.0
O A:HOH537 3.1 18.7 1.0
N A:LEU220 3.3 8.7 1.0
CA A:GLY218 3.5 11.2 1.0
C A:GLY218 3.6 9.4 1.0
CB A:LEU220 3.6 10.2 1.0
N A:PRO219 3.6 8.2 1.0
CD A:PRO219 3.6 9.7 1.0
CG A:LEU220 3.7 10.5 1.0
CB A:SER235 3.9 8.9 1.0
O A:HOH662 3.9 31.6 1.0
CA A:LEU220 4.0 9.9 1.0
OG A:SER235 4.1 14.4 1.0
CG A:PRO219 4.1 10.3 1.0
CD1 A:ILE246 4.2 9.3 1.0
O A:GLY218 4.2 12.1 1.0
CD1 A:LEU220 4.2 11.4 1.0
C A:PRO219 4.3 9.1 1.0
O A:ALA217 4.5 14.6 1.0
CA A:PRO219 4.5 8.6 1.0
N A:LEU221 4.5 12.0 0.7
N A:LEU221 4.6 10.4 0.3
OD2 A:ASP233 4.6 9.5 0.5
N A:GLY218 4.7 10.7 1.0
C A:LEU220 4.8 10.6 1.0
CD2 A:LEU220 4.9 11.0 1.0

Chlorine binding site 3 out of 5 in 4r4s

Go back to Chlorine Binding Sites List in 4r4s
Chlorine binding site 3 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 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 1.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:10.7
occ:0.77
 O A:HOH691 3.0 20.5 1.0
O A:HOH506 3.1 16.5 1.0
N A:GLU63 3.2 6.9 1.0
N A:PRO62 3.6 7.4 1.0
CD A:PRO62 3.6 9.4 1.0
C A:ARG61 3.6 7.6 0.5
C A:ARG61 3.6 6.8 0.5
CA A:ARG61 3.7 7.8 0.5
CA A:ARG61 3.7 6.6 0.5
CB A:GLU63 3.8 10.0 1.0
CA A:GLU63 3.8 7.3 1.0
N A:GLU64 3.8 6.7 1.0
CG A:GLU64 4.0 8.3 1.0
C A:GLU63 4.0 7.1 1.0
CG A:PRO62 4.1 10.6 1.0
O A:ARG61 4.1 7.6 0.5
O A:ARG61 4.2 6.7 0.5
C A:PRO62 4.3 7.1 1.0
CA A:PRO62 4.4 7.8 1.0
CG A:GLU63 4.6 13.1 1.0
N A:ARG61 4.6 7.3 0.5
N A:ARG61 4.6 6.7 0.5
CB A:ARG61 4.6 8.4 0.5
OE2 A:GLU64 4.7 11.0 1.0
CB A:ARG61 4.8 6.5 0.5
CA A:GLU64 4.8 6.7 1.0
O A:GLU63 4.8 8.6 1.0
CB A:GLU64 4.8 7.3 1.0
CD A:GLU64 4.9 9.2 1.0
CB A:PRO62 5.0 10.8 1.0

Chlorine binding site 4 out of 5 in 4r4s

Go back to Chlorine Binding Sites List in 4r4s
Chlorine binding site 4 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 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 1.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:14.5
occ:0.72
 O A:HOH474 3.0 15.0 1.0
N A:ARG61 3.2 7.3 0.5
N A:ARG61 3.2 6.7 0.5
O A:HOH742 3.4 45.8 1.0
CA A:PHE60 3.9 7.3 1.0
CD A:PRO62 4.0 9.4 1.0
C A:PHE60 4.0 6.6 1.0
CA A:ARG61 4.1 7.8 0.5
CA A:ARG61 4.2 6.6 0.5
CD1 A:PHE60 4.3 11.1 1.0
O A:HOH506 4.4 16.5 1.0
O A:SER59 4.6 9.4 1.0
CG A:PHE60 4.6 7.8 1.0
CE1 A:PHE60 4.7 12.8 1.0
N A:PHE60 4.7 7.7 1.0
CB A:PHE60 4.8 8.4 1.0
CG A:ARG61 4.9 9.0 0.5
C A:SER59 5.0 8.1 1.0
N A:PRO62 5.0 7.4 1.0

Chlorine binding site 5 out of 5 in 4r4s

Go back to Chlorine Binding Sites List in 4r4s
Chlorine binding site 5 out of 5 in the Crystal Structure of Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution


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 Chimeric Beta-Lactamase Ctem-19M at 1.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:12.2
occ:0.64
 O A:HOH590 3.0 20.9 1.0
N A:MET272 3.3 5.2 0.5
N A:MET272 3.3 7.2 0.5
CG A:MET272 3.8 16.1 0.5
CA A:THR271 3.8 6.6 1.0
CB A:THR271 3.9 7.7 1.0
CB A:MET272 3.9 10.9 0.5
CB A:MET272 4.0 5.3 0.5
C A:THR271 4.0 6.1 1.0
CA A:MET272 4.2 4.8 0.5
CA A:MET272 4.2 8.3 0.5
CG2 A:THR271 4.4 8.7 1.0
O A:HOH579 5.0 22.7 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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