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Chlorine in PDB 4qy5: 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: 4qy5 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) 51.40 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.520, 58.210, 109.500, 90.00, 90.00, 90.00
R / Rfree (%) 11 / 16.1

Other elements in 4qy5:

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

Magnesium (Mg) 4 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 4qy5). 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 Structures of Chimeric Beta-Lactamase Ctem-19M Showing Different Conformations, PDB code: 4qy5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4qy5

Go back to Chlorine Binding Sites List in 4qy5
Chlorine binding site 1 out of 4 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:17.8
occ:1.00
 O A:HOH548 3.2 25.7 1.0
NH2 A:ARG93 3.2 17.4 1.0
NH1 A:ARG93 3.4 18.3 1.0
CA A:THR141 3.7 10.4 1.0
CZ A:ARG93 3.8 17.2 1.0
CG2 A:THR141 4.0 12.3 1.0
CB A:THR141 4.2 12.0 1.0
N A:THR141 4.2 9.3 1.0
CG2 A:THR140 4.3 11.3 1.0
O A:THR140 4.3 9.8 1.0
C A:THR140 4.4 9.6 1.0
O A:THR141 4.6 11.8 1.0
C A:THR141 4.7 10.7 1.0
CD1 A:ILE95 4.8 16.6 1.0

Chlorine binding site 2 out of 4 in 4qy5

Go back to Chlorine Binding Sites List in 4qy5
Chlorine binding site 2 out of 4 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:18.4
occ:1.00
 O A:HOH421 3.0 17.3 1.0
O A:HOH414 3.1 20.2 1.0
O A:HOH578 3.2 28.4 1.0
N A:LEU220 3.4 13.8 1.0
CA A:GLY218 3.5 14.8 1.0
C A:GLY218 3.6 15.8 1.0
N A:PRO219 3.6 12.8 1.0
OG A:SER235 3.6 27.0 1.0
CD A:PRO219 3.7 14.7 1.0
CB A:SER235 3.7 16.2 1.0
CB A:LEU220 3.7 14.2 1.0
CG A:LEU220 3.7 15.0 1.0
O A:HOH697 3.9 41.8 1.0
CA A:LEU220 4.0 13.8 1.0
O A:GLY218 4.1 16.1 1.0
CG A:PRO219 4.1 14.6 1.0
CD1 A:LEU220 4.2 15.9 1.0
CD1 A:ILE246 4.3 15.8 1.0
C A:PRO219 4.4 15.3 1.0
CA A:PRO219 4.5 14.2 1.0
O A:ALA217 4.5 22.2 1.0
N A:LEU221 4.6 14.4 1.0
N A:GLY218 4.7 15.4 1.0
OD1 A:ASP233 4.8 24.0 1.0
C A:LEU220 4.9 15.0 1.0
NH2 A:ARG244 4.9 14.7 1.0

Chlorine binding site 3 out of 4 in 4qy5

Go back to Chlorine Binding Sites List in 4qy5
Chlorine binding site 3 out of 4 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:25.9
occ:1.00
 O A:HOH436 3.0 22.5 1.0
N A:ARG61 3.2 13.2 1.0
CA A:PHE60 3.9 13.2 1.0
CD A:PRO62 3.9 16.2 1.0
C A:PHE60 4.0 14.4 1.0
CA A:ARG61 4.1 13.5 1.0
CD1 A:PHE60 4.4 19.0 1.0
O A:HOH563 4.5 26.7 1.0
O A:SER59 4.6 16.0 1.0
CG A:PHE60 4.7 15.2 1.0
N A:PHE60 4.7 14.0 1.0
CB A:PHE60 4.8 13.6 1.0
CE1 A:PHE60 4.9 20.1 1.0
CG A:ARG61 4.9 15.2 1.0
N A:PRO62 4.9 13.9 1.0
C A:SER59 5.0 14.7 1.0

Chlorine binding site 4 out of 4 in 4qy5

Go back to Chlorine Binding Sites List in 4qy5
Chlorine binding site 4 out of 4 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:27.1
occ:1.00
 O A:HOH563 3.0 26.7 1.0
O A:HOH564 3.0 33.0 1.0
N A:GLU63 3.2 14.9 1.0
CD A:PRO62 3.6 16.2 1.0
N A:PRO62 3.6 13.9 1.0
C A:ARG61 3.7 13.2 1.0
CB A:GLU63 3.7 18.7 1.0
CA A:GLU63 3.7 13.9 1.0
CA A:ARG61 3.8 13.5 1.0
N A:GLU64 3.8 13.1 1.0
C A:GLU63 3.9 14.0 1.0
CG A:GLU64 4.0 16.9 1.0
CG A:PRO62 4.1 20.0 1.0
O A:ARG61 4.2 13.3 1.0
C A:PRO62 4.3 13.8 1.0
CA A:PRO62 4.4 14.7 1.0
CG A:GLU63 4.6 23.1 1.0
OE1 A:GLU63 4.7 0.7 1.0
N A:ARG61 4.7 13.2 1.0
OE2 A:GLU64 4.7 24.4 1.0
CB A:ARG61 4.7 14.5 1.0
O A:GLU63 4.8 18.3 1.0
CA A:GLU64 4.8 13.8 1.0
CB A:GLU64 4.9 13.8 1.0
CD A:GLU64 4.9 19.1 1.0
CB A:PRO62 4.9 22.0 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 00:58:18 2024

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