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Chlorine in PDB 4zej: Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime

Protein crystallography data

The structure of Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime, PDB code: 4zej was solved by M.P.S.Booth, M.Kosmopoulou, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 91.88 / 1.79
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.397, 46.977, 183.758, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 18.9

Other elements in 4zej:

The structure of Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime (pdb code 4zej). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime, PDB code: 4zej:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4zej

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Chlorine binding site 1 out of 10 in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime


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 Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:60.1
occ:1.00
 O A:ASP164 3.7 23.9 1.0
O A:HOH467 3.9 32.2 1.0
N A:GLU166 4.1 29.9 1.0
CD A:GLU166 4.2 40.0 1.0
OE2 A:GLU166 4.3 42.8 1.0
CA A:SER165 4.3 22.0 1.0
CG A:GLU166 4.3 36.5 1.0
C A:ASP164 4.6 23.1 1.0
OE1 A:GLU166 4.6 42.3 1.0
CB A:GLU166 4.7 34.0 1.0
C A:SER165 4.7 22.7 1.0
N A:SER165 4.9 21.9 1.0

Chlorine binding site 2 out of 10 in 4zej

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Chlorine binding site 2 out of 10 in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime


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 Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:74.8
occ:1.00
 O A:HOH406 2.7 46.0 1.0
ZN A:ZN301 2.9 26.4 1.0
O A:HOH442 3.0 32.2 1.0
CL A:CL306 3.0 45.8 1.0
NE2 A:HIS200 3.2 21.6 1.0
CD2 A:HIS200 3.3 20.5 1.0
CE1 A:HIS139 3.5 21.3 1.0
CB A:CYS158 3.6 20.7 1.0
SG A:CYS158 3.9 21.2 1.0
NE2 A:HIS139 4.0 21.4 1.0
O A:HOH479 4.1 40.8 1.0
ND1 A:HIS139 4.1 21.0 1.0
CL A:CL305 4.2 71.1 1.0
NH1 A:ARG161 4.2 26.7 1.0
CE1 A:HIS200 4.4 21.5 1.0
ZN A:ZN302 4.4 23.1 1.0
CG A:HIS200 4.5 20.2 1.0
CA A:CYS158 4.7 19.5 1.0
OD2 A:ASP81 4.7 24.1 1.0
CD2 A:HIS139 4.8 21.0 1.0
CG A:HIS139 4.9 20.9 1.0
O A:CYS158 5.0 19.3 1.0

Chlorine binding site 3 out of 10 in 4zej

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Chlorine binding site 3 out of 10 in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime


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 Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:71.1
occ:1.00
 O A:HOH406 3.3 46.0 1.0
NH1 A:ARG161 3.3 26.7 1.0
NH2 A:ARG161 4.0 28.1 1.0
CD2 A:HIS200 4.1 20.5 1.0
CZ A:ARG161 4.1 26.6 1.0
O A:HOH487 4.2 40.0 1.0
CL A:CL304 4.2 74.8 1.0
CG A:HIS200 4.2 20.2 1.0
CB A:HIS200 4.5 19.7 1.0
CA A:GLY169 4.5 29.1 1.0
NE2 A:HIS200 4.6 21.6 1.0
ND1 A:HIS200 4.7 20.7 1.0
CG1 A:VAL31 4.9 24.7 1.0
O A:HOH469 4.9 34.4 1.0
CE1 A:PHE28 4.9 49.8 1.0
CE1 A:HIS200 4.9 21.5 1.0

Chlorine binding site 4 out of 10 in 4zej

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Chlorine binding site 4 out of 10 in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime


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 Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:45.8
occ:1.00
 ZN A:ZN302 2.3 23.1 1.0
ZN A:ZN301 2.3 26.4 1.0
O A:HOH479 2.7 40.8 1.0
OD1 A:ASP81 3.0 25.6 1.0
CL A:CL304 3.0 74.8 1.0
OD2 A:ASP81 3.2 24.1 1.0
NE2 A:HIS139 3.4 21.4 1.0
CG A:ASP81 3.4 24.6 1.0
NE2 A:HIS77 3.5 21.3 1.0
CE1 A:HIS77 3.7 20.8 1.0
SG A:CYS158 3.8 21.2 1.0
CE1 A:HIS139 3.9 21.3 1.0
ND1 A:HIS79 3.9 24.7 1.0
NE2 A:HIS200 4.0 21.6 1.0
CB A:CYS158 4.1 20.7 1.0
CB A:HIS79 4.2 23.5 1.0
CD2 A:HIS139 4.4 21.0 1.0
CG A:HIS79 4.5 24.6 1.0
CD2 A:HIS77 4.8 21.7 1.0
CB A:ASP81 4.8 24.5 1.0
CE1 A:HIS200 4.8 21.5 1.0
O A:HOH406 4.9 46.0 1.0
CD2 A:HIS200 4.9 20.5 1.0
CE1 A:HIS79 5.0 26.0 1.0
ND1 A:HIS139 5.0 21.0 1.0

Chlorine binding site 5 out of 10 in 4zej

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Chlorine binding site 5 out of 10 in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime


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 Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:54.8
occ:1.00
 CD1 A:ILE203 3.9 27.4 1.0
O A:LYS11 4.1 32.5 1.0
O A:HOH471 4.2 25.7 1.0
CG2 A:VAL12 4.5 28.2 1.0
CA A:VAL12 4.5 31.3 1.0
CG1 A:ILE203 4.6 25.7 1.0
CD2 A:LEU18 4.6 23.5 1.0
C A:LYS11 4.8 31.6 1.0
CB A:VAL12 4.9 30.1 1.0

Chlorine binding site 6 out of 10 in 4zej

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Chlorine binding site 6 out of 10 in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime


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 Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:57.5
occ:1.00
 O A:VAL4 3.3 30.1 1.0
N A:VAL4 3.8 32.6 1.0
CG A:GLU3 4.1 40.4 1.0
C A:VAL4 4.3 29.1 1.0
CG2 A:VAL4 4.3 30.4 1.0
O A:HOH458 4.5 33.8 1.0
CA A:GLU3 4.5 38.8 1.0
CA A:VAL4 4.6 30.1 1.0
C A:GLU3 4.7 34.8 1.0
CB A:GLU3 4.8 40.5 1.0
OE1 A:GLU6 4.8 39.2 1.0

Chlorine binding site 7 out of 10 in 4zej

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Chlorine binding site 7 out of 10 in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:75.5
occ:1.00
 CZ A:TYR134 3.6 29.5 1.0
CE2 A:TYR134 3.7 30.9 1.0
CE1 A:TYR134 3.8 28.2 1.0
O A:HOH433 3.9 27.3 1.0
OH A:TYR134 4.0 29.4 1.0
O A:HOH468 4.0 35.1 1.0
CB A:SER101 4.0 33.8 1.0
CD2 A:TYR134 4.1 30.9 1.0
CD1 A:TYR134 4.2 28.1 1.0
O A:ILE141 4.2 28.2 1.0
O A:HOH507 4.2 36.3 1.0
CG A:TYR134 4.3 29.4 1.0
OG A:SER101 4.3 34.5 1.0

Chlorine binding site 8 out of 10 in 4zej

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Chlorine binding site 8 out of 10 in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:74.2
occ:1.00
 ZN B:ZN302 2.5 36.6 1.0
O B:HOH405 2.8 50.0 1.0
NE2 B:HIS200 3.0 31.1 1.0
O B:HOH463 3.1 42.9 1.0
O B:HOH410 3.2 35.5 1.0
CD2 B:HIS200 3.3 29.8 1.0
CE1 B:HIS139 3.5 29.1 1.0
CB B:CYS158 3.5 28.2 1.0
SG B:CYS158 3.6 29.1 1.0
NE2 B:HIS139 3.8 29.3 1.0
ND1 B:HIS139 4.1 28.1 1.0
CE1 B:HIS200 4.2 30.9 1.0
OD2 B:ASP81 4.3 39.3 1.0
CL B:CL304 4.4 67.8 1.0
ZN B:ZN301 4.4 30.7 1.0
NH1 B:ARG161 4.4 33.1 1.0
CG B:HIS200 4.6 29.5 1.0
CA B:CYS158 4.6 26.6 1.0
CD2 B:HIS139 4.7 28.4 1.0
CG B:HIS139 4.8 27.6 1.0
ND1 B:HIS200 5.0 30.0 1.0
O B:CYS158 5.0 25.4 1.0

Chlorine binding site 9 out of 10 in 4zej

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Chlorine binding site 9 out of 10 in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:67.8
occ:1.00
 O B:HOH405 3.4 50.0 1.0
NH1 B:ARG161 3.7 33.1 1.0
CD2 B:HIS200 4.1 29.8 1.0
NH2 B:ARG161 4.2 34.7 1.0
CG B:HIS200 4.3 29.5 1.0
CL B:CL303 4.4 74.2 1.0
NE2 B:HIS200 4.4 31.1 1.0
CZ B:ARG161 4.4 33.0 1.0
CA B:GLY169 4.5 34.5 1.0
CG1 B:VAL31 4.5 33.0 1.0
ND1 B:HIS200 4.6 30.0 1.0
CE1 B:HIS200 4.7 30.9 1.0
CB B:HIS200 4.8 28.7 1.0
CE1 B:PHE28 4.8 65.9 1.0
CD1 B:PHE28 4.8 63.4 1.0

Chlorine binding site 10 out of 10 in 4zej

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Chlorine binding site 10 out of 10 in the Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Dim-1 Metallo-Beta-Lactamase Exposed to Ceftazidime within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:55.5
occ:1.00
 CD B:ARG181 4.3 43.4 1.0
NH1 B:ARG181 4.3 48.0 1.0
NE B:ARG181 4.4 45.6 1.0
CZ B:ARG181 4.4 47.3 1.0

Reference:

M.P.S.Booth, M.Kosmopoulou, L.Poirel, P.Nordmann, J.Spencer. Crystal Stricture of Dim-1 Metallo-Beta-Lactamase To Be Published.
Page generated: Fri Jul 26 04:33:43 2024

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