Atomistry » Chlorine » PDB 6pil-6pr3 » 6pqi
Atomistry »
  Chlorine »
    PDB 6pil-6pr3 »
      6pqi »

Chlorine in PDB 6pqi: Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime

Enzymatic activity of Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime

All present enzymatic activity of Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime, PDB code: 6pqi was solved by A.Akhtar, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.64 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.732, 107.005, 96.196, 90.00, 104.17, 90.00
R / Rfree (%) 18.2 / 21.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime (pdb code 6pqi). 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 Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime, PDB code: 6pqi:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6pqi

Go back to Chlorine Binding Sites List in 6pqi
Chlorine binding site 1 out of 6 in the Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime


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 Class D Beta-Lactamase Oxa-48 with Cefotaxime within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:33.6
occ:0.99
 NH2 A:ARG206 3.1 29.7 1.0
NH1 A:ARG206 3.2 26.9 1.0
NH1 B:ARG206 3.2 34.5 1.0
NH2 B:ARG206 3.2 31.1 1.0
CZ A:ARG206 3.6 35.9 1.0
CZ B:ARG206 3.6 30.5 1.0
CA B:GLN193 4.3 30.8 1.0
CD2 B:LEU196 4.3 29.0 1.0
CD2 A:LEU196 4.3 27.9 1.0
CA A:GLN193 4.3 30.8 1.0
CG B:GLN193 4.3 38.4 1.0
CG A:GLN193 4.4 27.7 1.0
CB B:GLN193 4.5 35.5 1.0
CB A:GLN193 4.5 32.3 1.0
O B:GLN193 4.9 30.0 1.0
NE A:ARG206 4.9 23.6 1.0
CB B:LEU196 4.9 28.5 1.0
CB A:LEU196 4.9 27.8 1.0
O A:GLN193 4.9 30.8 1.0
NE B:ARG206 4.9 28.2 1.0
CD1 A:LEU196 5.0 26.8 1.0
CG A:LEU196 5.0 31.9 1.0

Chlorine binding site 2 out of 6 in 6pqi

Go back to Chlorine Binding Sites List in 6pqi
Chlorine binding site 2 out of 6 in the Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime


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 Class D Beta-Lactamase Oxa-48 with Cefotaxime within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:43.1
occ:0.89
 NZ A:LYS73 2.9 33.4 1.0
NE1 A:TRP157 3.0 34.1 1.0
O A:HOH450 3.3 33.3 1.0
CE A:LYS73 3.5 43.2 1.0
CG A:LYS73 3.6 29.7 1.0
CG2 A:VAL120 3.8 33.7 1.0
CD1 A:TRP157 3.9 37.7 1.0
CE2 A:TRP157 3.9 37.6 1.0
CA A:SER70 4.0 28.3 1.0
OG A:SER70 4.1 42.3 1.0
CD A:LYS73 4.1 39.7 1.0
CZ2 A:TRP157 4.3 40.0 1.0
CA A:VAL120 4.3 34.1 1.0
CB A:VAL120 4.4 40.3 1.0
O A:ALA69 4.4 32.6 1.0
CG1 A:VAL120 4.4 43.8 1.0
CB A:TYR123 4.5 36.2 1.0
CB A:SER70 4.5 35.9 1.0
N A:SER70 4.7 31.4 1.0
CD2 A:LEU158 4.7 41.1 1.0
C A:ALA69 4.8 34.6 1.0
C8 A:CEF301 4.8 42.7 0.8
O A:SER70 4.8 29.0 1.0
C A:SER70 4.9 33.0 1.0
CG A:TYR123 5.0 37.0 1.0
CB A:LYS73 5.0 32.9 1.0
O A:VAL120 5.0 33.2 1.0

Chlorine binding site 3 out of 6 in 6pqi

Go back to Chlorine Binding Sites List in 6pqi
Chlorine binding site 3 out of 6 in the Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime


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 Class D Beta-Lactamase Oxa-48 with Cefotaxime within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:40.5
occ:0.68
 NZ B:LYS73 2.5 42.3 1.0
NE1 B:TRP157 2.9 46.9 1.0
O B:HOH464 3.3 44.4 1.0
CE B:LYS73 3.5 35.6 1.0
CG2 B:VAL120 3.6 39.1 1.0
CD1 B:TRP157 3.7 59.6 1.0
CG B:LYS73 3.7 34.3 1.0
CA B:SER70 3.8 35.9 1.0
CE2 B:TRP157 3.9 49.4 1.0
OG B:SER70 3.9 41.4 1.0
O B:ALA69 4.2 32.6 1.0
CD B:LYS73 4.2 38.5 1.0
CD2 B:LEU158 4.3 57.5 1.0
CB B:VAL120 4.3 43.2 1.0
CG1 B:VAL120 4.3 42.4 1.0
CB B:SER70 4.4 35.4 1.0
CZ2 B:TRP157 4.4 59.6 1.0
C8 B:CEF301 4.4 46.6 0.9
CA B:VAL120 4.4 35.9 1.0
N B:SER70 4.4 28.7 1.0
C B:ALA69 4.5 32.3 1.0
C B:SER70 4.7 33.6 1.0
O B:SER70 4.7 30.6 1.0
CB B:TYR123 4.8 35.0 1.0
CG B:TRP157 4.9 48.8 1.0

Chlorine binding site 4 out of 6 in 6pqi

Go back to Chlorine Binding Sites List in 6pqi
Chlorine binding site 4 out of 6 in the Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime


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 Class D Beta-Lactamase Oxa-48 with Cefotaxime within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:43.9
occ:0.89
 NZ C:LYS73 2.9 37.1 1.0
NE1 C:TRP157 2.9 33.7 1.0
O C:HOH462 3.2 36.9 1.0
CE C:LYS73 3.5 38.8 1.0
CG C:LYS73 3.7 35.1 1.0
CD1 C:TRP157 3.7 36.5 1.0
CG2 C:VAL120 3.8 40.6 1.0
CE2 C:TRP157 3.9 39.2 1.0
CA C:SER70 4.0 34.2 1.0
OG C:SER70 4.1 42.7 1.0
CD C:LYS73 4.2 37.4 1.0
CZ2 C:TRP157 4.3 40.6 1.0
CG1 C:VAL120 4.3 40.8 1.0
CA C:VAL120 4.3 35.2 1.0
O C:ALA69 4.4 31.4 1.0
CB C:VAL120 4.4 41.6 1.0
CD2 C:LEU158 4.4 44.7 1.0
CB C:SER70 4.5 36.8 1.0
CB C:TYR123 4.6 35.4 1.0
N C:SER70 4.6 32.1 1.0
C C:ALA69 4.7 35.0 1.0
C8 C:CEF301 4.8 48.9 0.8
O C:SER70 4.8 32.2 1.0
C C:SER70 4.9 30.4 1.0
CG C:TRP157 4.9 34.9 1.0
CD2 C:TRP157 5.0 36.1 1.0

Chlorine binding site 5 out of 6 in 6pqi

Go back to Chlorine Binding Sites List in 6pqi
Chlorine binding site 5 out of 6 in the Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime


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 Class D Beta-Lactamase Oxa-48 with Cefotaxime within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:28.8
occ:0.82
 NH1 D:ARG206 3.1 27.6 1.0
NH2 D:ARG206 3.1 27.9 1.0
CZ D:ARG206 3.6 29.4 1.0
CD2 D:LEU196 4.2 24.1 1.0
CG D:GLN193 4.3 34.5 1.0
CA D:GLN193 4.3 31.5 1.0
CB D:GLN193 4.5 34.1 1.0
O D:HOH431 4.9 41.8 1.0
CB D:LEU196 4.9 28.2 1.0
NE D:ARG206 4.9 32.3 1.0
O D:GLN193 4.9 29.1 1.0
CG D:LEU196 5.0 26.4 1.0

Chlorine binding site 6 out of 6 in 6pqi

Go back to Chlorine Binding Sites List in 6pqi
Chlorine binding site 6 out of 6 in the Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime


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 Class D Beta-Lactamase Oxa-48 with Cefotaxime within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:43.0
occ:0.73
 NZ D:LYS73 2.8 39.1 1.0
NE1 D:TRP157 2.9 43.0 1.0
O D:HOH439 3.1 40.0 1.0
CE D:LYS73 3.4 35.9 1.0
CG D:LYS73 3.6 30.6 1.0
CD1 D:TRP157 3.7 51.5 1.0
CG2 D:VAL120 3.8 36.6 1.0
CA D:SER70 3.9 32.5 1.0
OG D:SER70 3.9 35.2 1.0
CE2 D:TRP157 3.9 49.3 1.0
CD D:LYS73 4.1 38.8 1.0
CG1 D:VAL120 4.2 33.5 1.0
O D:ALA69 4.2 30.8 1.0
CB D:SER70 4.3 26.6 1.0
CB D:VAL120 4.4 41.0 1.0
CZ2 D:TRP157 4.4 58.9 1.0
CA D:VAL120 4.4 28.5 1.0
CD2 D:LEU158 4.5 51.1 1.0
N D:SER70 4.5 29.3 1.0
C D:ALA69 4.6 31.8 1.0
C8 D:CEF301 4.7 43.8 0.9
CB D:TYR123 4.7 40.0 1.0
C D:SER70 4.8 30.1 1.0
O D:SER70 4.8 29.4 1.0
CG D:TRP157 4.9 47.5 1.0
CB D:LYS73 5.0 30.1 1.0

Reference:

A.Akhtar, Y.Chen. Crystal Structure of Class D Beta-Lactamase Oxa-48 with Cefotaxime To Be Published.
Page generated: Mon Jul 29 13:30:03 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy