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Chlorine in PDB 6nlw: The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1

Enzymatic activity of The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1

All present enzymatic activity of The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1:
3.5.2.6;

Protein crystallography data

The structure of The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1, PDB code: 6nlw was solved by K.Tan, C.Tesar, M.Endres, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.03 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 174.333, 61.391, 122.802, 90.00, 119.53, 90.00
R / Rfree (%) 18.3 / 22.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1 (pdb code 6nlw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1, PDB code: 6nlw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6nlw

Go back to Chlorine Binding Sites List in 6nlw
Chlorine binding site 1 out of 6 in the The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:29.0
occ:1.00
 NZ A:LYS73 2.9 27.3 1.0
O A:HOH539 3.0 20.3 1.0
NE1 A:TRP157 3.1 22.6 1.0
CE A:LYS73 3.4 25.1 1.0
CG A:LYS73 3.5 17.7 1.0
CB A:TYR123 3.8 16.7 1.0
CG2 A:VAL120 3.8 21.0 1.0
CE2 A:TRP157 3.9 23.4 1.0
CA A:VAL120 3.9 22.3 1.0
CD1 A:TRP157 4.0 19.8 1.0
CD A:LYS73 4.0 22.1 1.0
OG A:SER70 4.1 28.6 1.0
CZ2 A:TRP157 4.1 24.8 1.0
CB A:VAL120 4.2 21.2 1.0
CG1 A:VAL120 4.2 24.7 1.0
CG A:TYR123 4.3 16.1 1.0
O A:VAL120 4.4 20.4 1.0
CA A:SER70 4.6 17.6 1.0
CD1 A:TYR123 4.7 21.7 1.0
C A:VAL120 4.7 21.6 1.0
N A:VAL120 4.8 20.5 1.0
CB A:SER70 4.8 25.3 1.0
CB A:LYS73 5.0 15.8 1.0

Chlorine binding site 2 out of 6 in 6nlw

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Chlorine binding site 2 out of 6 in the The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl309

b:38.5
occ:1.00
 NZ B:LYS73 2.5 35.4 1.0
NE1 B:TRP157 3.1 22.6 1.0
CE B:LYS73 3.2 36.5 1.0
O B:HOH491 3.3 22.7 1.0
CG B:LYS73 3.7 20.5 1.0
CG2 B:VAL120 3.9 25.8 1.0
OG B:SER70 3.9 39.6 1.0
CE2 B:TRP157 3.9 23.1 1.0
CB B:TYR123 4.0 23.7 1.0
CD B:LYS73 4.0 28.7 1.0
CD1 B:TRP157 4.1 18.8 1.0
CA B:VAL120 4.1 20.8 1.0
CZ2 B:TRP157 4.2 23.8 1.0
CB B:VAL120 4.4 25.5 1.0
CG1 B:VAL120 4.5 25.9 1.0
CG B:TYR123 4.5 24.8 1.0
CA B:SER70 4.6 25.1 1.0
O B:VAL120 4.7 19.6 1.0
CB B:SER70 4.8 27.9 1.0
N B:VAL120 4.9 21.7 1.0
CD1 B:TYR123 4.9 28.2 1.0
C B:VAL120 5.0 20.7 1.0

Chlorine binding site 3 out of 6 in 6nlw

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Chlorine binding site 3 out of 6 in the The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl310

b:60.7
occ:1.00
 O B:HOH509 2.7 35.8 1.0
O B:ALA65 2.9 25.2 1.0
NE B:ARG163 3.0 23.4 1.0
O B:HOH461 3.2 35.5 1.0
O B:HOH455 3.3 33.8 1.0
CD B:ARG163 3.3 26.1 1.0
C B:ALA65 3.9 25.6 1.0
CG B:ARG163 4.1 27.6 1.0
CZ B:ARG163 4.2 27.4 1.0
CA B:PHE66 4.3 21.7 1.0
N B:PHE66 4.5 22.5 1.0
NH2 B:ARG163 4.6 32.4 1.0
O B:HOH468 4.6 24.6 1.0
CB B:ARG163 4.9 21.3 1.0
CA B:ALA65 4.9 27.6 1.0
CB B:ALA65 5.0 34.0 1.0
C B:PHE66 5.0 24.6 1.0

Chlorine binding site 4 out of 6 in 6nlw

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Chlorine binding site 4 out of 6 in the The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl306

b:33.3
occ:1.00
 NZ C:LYS73 2.7 29.3 1.0
O C:HOH474 3.0 24.2 1.0
NE1 C:TRP157 3.1 24.1 1.0
CE C:LYS73 3.3 26.6 1.0
CG C:LYS73 3.6 18.7 1.0
CB C:TYR123 3.6 25.8 1.0
CE2 C:TRP157 3.9 32.0 1.0
CG2 C:VAL120 4.0 23.6 1.0
CA C:VAL120 4.0 24.1 1.0
CD C:LYS73 4.0 22.8 1.0
CZ2 C:TRP157 4.1 36.3 1.0
CD1 C:TRP157 4.1 27.6 1.0
CG1 C:VAL120 4.1 25.4 1.0
CG C:TYR123 4.2 24.1 1.0
CB C:VAL120 4.2 20.7 1.0
OG C:SER70 4.3 32.8 1.0
O C:VAL120 4.5 24.4 1.0
CD1 C:TYR123 4.6 22.5 1.0
CA C:SER70 4.7 22.3 1.0
C C:VAL120 4.8 25.5 1.0
N C:VAL120 4.8 25.6 1.0
CD2 C:TYR123 5.0 26.2 1.0
CA C:TYR123 5.0 26.0 1.0

Chlorine binding site 5 out of 6 in 6nlw

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Chlorine binding site 5 out of 6 in the The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl307

b:69.5
occ:1.00
 O C:THR243 3.0 38.5 1.0
CD C:PRO242 3.3 31.0 1.0
SD C:MET241 3.4 30.0 1.0
N C:THR243 3.7 40.0 1.0
N C:PRO242 3.7 32.6 1.0
CA C:MET241 3.7 26.1 1.0
O C:HOH516 3.7 48.5 1.0
N C:GLY246 3.8 39.7 1.0
C C:MET241 3.9 28.6 1.0
C C:THR243 4.0 34.8 1.0
CG C:PRO242 4.0 38.0 1.0
CG C:MET241 4.1 27.4 1.0
CA C:GLY246 4.1 33.9 1.0
OG1 C:THR243 4.2 39.9 1.0
O C:ASP240 4.3 26.1 1.0
CA C:THR243 4.4 38.1 1.0
CB C:MET241 4.5 24.6 1.0
C C:PRO242 4.6 38.2 1.0
CA C:PRO242 4.7 37.5 1.0
N C:MET241 4.7 26.8 1.0
O C:MET241 4.8 31.2 1.0
N C:ASP245 4.8 35.9 1.0
CB C:THR243 4.9 39.7 1.0
C C:GLY246 4.9 30.5 1.0
CE C:MET241 4.9 26.4 1.0
C C:ASP240 4.9 28.8 1.0
C C:ASP245 5.0 40.2 1.0

Chlorine binding site 6 out of 6 in 6nlw

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Chlorine binding site 6 out of 6 in the The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl310

b:27.8
occ:1.00
 NZ D:LYS73 2.7 22.2 1.0
NE1 D:TRP157 3.0 17.9 1.0
O D:HOH493 3.2 20.9 1.0
CE D:LYS73 3.2 22.3 1.0
CG D:LYS73 3.6 16.9 1.0
CB D:TYR123 3.8 18.1 1.0
CG2 D:VAL120 3.8 21.1 1.0
CE2 D:TRP157 3.9 21.4 1.0
CA D:VAL120 3.9 19.1 1.0
CD D:LYS73 4.0 17.8 1.0
CD1 D:TRP157 4.0 18.6 1.0
CZ2 D:TRP157 4.1 19.9 1.0
OG D:SER70 4.2 35.0 1.0
CB D:VAL120 4.2 22.6 1.0
CG D:TYR123 4.3 22.7 1.0
CG1 D:VAL120 4.3 24.5 1.0
O D:VAL120 4.4 19.2 1.0
CD1 D:TYR123 4.6 22.9 1.0
CA D:SER70 4.7 21.6 1.0
N D:VAL120 4.7 20.1 1.0
C D:VAL120 4.7 19.5 1.0
CD2 D:LEU158 4.7 35.1 1.0
CB D:SER70 4.9 24.9 1.0
CB D:LYS73 5.0 16.0 1.0
O D:VAL119 5.0 20.1 1.0

Reference:

K.Tan, C.Tesar, M.Endres, A.Joachimiak. The Crystal Structure of Class D Carbapenem-Hydrolyzing Beta-Lactamase Blaa From Shewanella Oneidensis Mr-1 To Be Published.
Page generated: Mon Jul 29 12:07:36 2024

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