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Chlorine in PDB 4qy6: Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations

Enzymatic activity of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations

All present enzymatic activity of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations, PDB code: 4qy6 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) 36.84 / 1.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.840, 58.760, 109.940, 90.00, 90.00, 90.00
R / Rfree (%) 10.5 / 13.9

Other elements in 4qy6:

The structure of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations (pdb code 4qy6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations, PDB code: 4qy6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4qy6

Go back to Chlorine Binding Sites List in 4qy6
Chlorine binding site 1 out of 6 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:8.0
occ:1.00
 O A:HOH499 3.2 10.7 1.0
NH2 A:ARG93 3.3 7.3 1.0
NH1 A:ARG93 3.4 7.2 1.0
CA A:THR141 3.7 5.3 1.0
CZ A:ARG93 3.8 7.1 1.0
CG2 A:THR141 4.0 6.3 1.0
CB A:THR141 4.2 5.8 1.0
N A:THR141 4.2 5.1 1.0
CG2 A:THR140 4.2 5.9 1.0
O A:THR140 4.3 5.6 1.0
C A:THR140 4.4 5.4 1.0
O A:THR141 4.6 6.1 1.0
C A:THR141 4.6 5.4 1.0
CD1 A:ILE95 4.8 10.4 1.0

Chlorine binding site 2 out of 6 in 4qy6

Go back to Chlorine Binding Sites List in 4qy6
Chlorine binding site 2 out of 6 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:22.1
occ:0.72
 O A:HOH515 2.8 16.3 1.0
OG A:SER188 3.1 11.5 0.7
OG A:SER188 3.3 9.4 0.3
O A:HOH488 3.3 19.9 1.0
NH1 A:ARG191 3.6 29.1 1.0
CB A:SER188 3.7 8.2 0.3
CB A:SER188 3.7 9.8 0.7
O A:HOH594 3.7 27.9 1.0
O A:HOH658 4.0 32.8 1.0
CA A:SER188 4.1 8.2 0.7
CA A:SER188 4.1 7.5 0.3
CD A:ARG191 4.2 12.9 1.0
CA A:GLY54 4.3 18.3 1.0
O A:GLY54 4.4 21.8 1.0
CD1 A:LEU49 4.6 14.1 1.0
CZ A:ARG191 4.6 19.1 1.0
O A:HOH492 4.7 17.7 1.0
O A:HOH476 4.7 16.9 1.0
NE A:ARG191 4.8 15.4 1.0
C A:GLY54 4.8 17.3 1.0
O A:SER188 4.8 8.5 1.0
O A:HOH535 4.9 19.8 1.0
C A:SER188 5.0 7.5 1.0

Chlorine binding site 3 out of 6 in 4qy6

Go back to Chlorine Binding Sites List in 4qy6
Chlorine binding site 3 out of 6 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:18.3
occ:0.86
 O A:HOH413 3.2 8.5 1.0
N A:MET272 3.2 6.4 1.0
CA A:THR271 3.8 7.0 1.0
O A:HOH858 3.8 48.4 1.0
CB A:THR271 3.9 8.0 1.0
CB A:MET272 4.0 7.8 1.0
C A:THR271 4.0 6.7 1.0
CA A:MET272 4.2 6.6 1.0
CG2 A:THR271 4.4 9.3 1.0

Chlorine binding site 4 out of 6 in 4qy6

Go back to Chlorine Binding Sites List in 4qy6
Chlorine binding site 4 out of 6 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:11.8
occ:1.00
 O A:HOH438 3.1 11.9 1.0
O A:HOH429 3.1 10.8 1.0
O A:HOH554 3.2 21.1 1.0
N A:LEU220 3.3 10.2 1.0
CA A:GLY218 3.5 12.6 1.0
C A:GLY218 3.6 10.7 1.0
N A:PRO219 3.6 9.9 1.0
CD A:PRO219 3.7 10.8 1.0
CB A:LEU220 3.7 12.2 1.0
CG A:LEU220 3.7 10.8 1.0
O A:HOH747 3.8 38.4 1.0
CB A:SER235 3.8 9.8 1.0
CA A:LEU220 4.0 11.4 1.0
OG A:SER235 4.1 15.4 1.0
CD1 A:ILE246 4.1 9.3 1.0
CG A:PRO219 4.2 12.6 1.0
CD1 A:LEU220 4.2 12.3 1.0
O A:GLY218 4.2 13.2 1.0
C A:PRO219 4.3 10.0 1.0
O A:ALA217 4.4 15.8 1.0
CA A:PRO219 4.5 10.2 1.0
N A:LEU221 4.6 12.6 1.0
OD2 A:ASP233 4.6 11.0 0.5
N A:GLY218 4.7 11.7 1.0
C A:LEU220 4.9 13.3 1.0
O A:HOH667 4.9 29.2 1.0
CD2 A:LEU220 5.0 12.2 1.0

Chlorine binding site 5 out of 6 in 4qy6

Go back to Chlorine Binding Sites List in 4qy6
Chlorine binding site 5 out of 6 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:13.1
occ:0.86
 O A:HOH627 3.0 22.4 1.0
O A:HOH479 3.0 16.8 1.0
N A:GLU63 3.2 7.7 1.0
C A:ARG61 3.5 7.7 0.4
N A:PRO62 3.6 8.3 1.0
CD A:PRO62 3.6 9.3 1.0
CA A:ARG61 3.6 7.7 0.4
C A:ARG61 3.7 7.8 0.3
C A:ARG61 3.7 7.8 0.3
CA A:ARG61 3.7 7.8 0.3
CA A:ARG61 3.7 7.8 0.3
CB A:GLU63 3.8 10.3 1.0
CA A:GLU63 3.8 8.3 1.0
N A:GLU64 3.8 7.8 1.0
O A:ARG61 3.9 6.9 0.4
CG A:GLU64 3.9 8.9 1.0
C A:GLU63 4.0 8.6 1.0
CG A:PRO62 4.1 10.8 1.0
O A:HOH762 4.2 56.1 1.0
C A:PRO62 4.3 7.6 1.0
O A:ARG61 4.3 6.5 0.3
O A:ARG61 4.3 6.5 0.3
CA A:PRO62 4.4 9.0 1.0
CG A:GLU63 4.5 12.9 1.0
N A:ARG61 4.6 7.6 0.4
O A:HOH865 4.6 47.1 1.0
N A:ARG61 4.6 7.8 0.3
N A:ARG61 4.6 7.8 0.3
CB A:ARG61 4.6 7.4 0.4
OE2 A:GLU64 4.7 11.9 1.0
CB A:ARG61 4.7 7.8 0.3
CB A:ARG61 4.7 7.8 0.3
CA A:GLU64 4.8 7.8 1.0
O A:GLU63 4.8 9.8 1.0
CB A:GLU64 4.8 7.8 1.0
CD A:GLU64 4.9 9.6 1.0
CB A:PRO62 5.0 11.7 1.0

Chlorine binding site 6 out of 6 in 4qy6

Go back to Chlorine Binding Sites List in 4qy6
Chlorine binding site 6 out of 6 in the Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:16.2
occ:0.76
 O A:HOH459 2.9 15.4 1.0
N A:ARG61 3.2 7.6 0.4
N A:ARG61 3.2 7.8 0.3
N A:ARG61 3.2 7.8 0.3
O A:HOH865 3.5 47.1 1.0
CA A:PHE60 3.8 8.3 1.0
C A:PHE60 4.0 7.7 1.0
CD A:PRO62 4.0 9.3 1.0
CA A:ARG61 4.1 7.7 0.4
CA A:ARG61 4.2 7.8 0.3
CA A:ARG61 4.2 7.8 0.3
CD1 A:PHE60 4.2 11.8 1.0
O A:HOH479 4.4 16.8 1.0
O A:SER59 4.5 10.7 1.0
CG A:PHE60 4.5 9.0 1.0
CE1 A:PHE60 4.6 15.2 1.0
N A:PHE60 4.7 8.5 1.0
CB A:PHE60 4.7 9.6 1.0
CG A:ARG61 4.9 7.4 0.4
C A:SER59 4.9 9.1 1.0
N A:PRO62 5.0 8.3 1.0

Reference:

J.Park, S.Gobeil, J.N.Pelletier, A.M.Berghuis. Crystal Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations To Be Published.
Page generated: Fri Jul 26 00:58:32 2024

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