Atomistry » Chlorine » PDB 6nku-6nvh » 6nlw
Atomistry »
  Chlorine »
    PDB 6nku-6nvh »
      6nlw »

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

Go back to Chlorine Binding Sites List in 6nlw
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

Go back to Chlorine Binding Sites List in 6nlw
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

Go back to Chlorine Binding Sites List in 6nlw
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

Go back to Chlorine Binding Sites List in 6nlw
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

Go back to Chlorine Binding Sites List in 6nlw
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: Sat Jul 12 17:22:45 2025

Last articles

Mg in 3HAV
Mg in 3H9F
Mg in 3H8A
Mg in 3H80
Mg in 3H8S
Mg in 3H84
Mg in 3H87
Mg in 3H7V
Mg in 3H7C
Mg in 3H7K
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy