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Chlorine in PDB 6v70: Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site

Enzymatic activity of Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site

All present enzymatic activity of Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site, PDB code: 6v70 was solved by N.Maltseva, Y.Kim, S.Clancy, M.Endres, R.Mulligan, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.47 / 1.95
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 80.352, 80.352, 245.373, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 18.3

Other elements in 6v70:

The structure of Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site also contains other interesting chemical elements:

Cadmium (Cd) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site (pdb code 6v70). 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 Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site, PDB code: 6v70:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6v70

Go back to Chlorine Binding Sites List in 6v70
Chlorine binding site 1 out of 4 in the Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site


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 Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:38.6
occ:1.00
 CD A:CD306 2.5 36.4 1.0
CD A:CD305 2.7 33.2 1.0
C1 A:EDO303 3.0 69.0 1.0
O2 A:EDO303 3.1 41.4 1.0
O1 A:EDO303 3.2 65.6 1.0
O A:HOH401 3.4 22.2 1.0
ND2 A:ASN211 3.5 60.4 1.0
NE2 A:HIS180 3.5 29.8 1.0
C2 A:EDO303 3.5 55.0 1.0
CE1 A:HIS180 3.6 31.6 1.0
ND1 A:HIS118 3.7 34.7 1.0
CL A:CL304 3.7 35.5 1.0
CB A:ASN211 3.9 41.8 1.0
SG A:CYS199 4.0 33.2 1.0
CG A:ASN211 4.2 57.4 1.0
CE1 A:HIS118 4.2 45.1 1.0
O A:HOH476 4.4 46.1 1.0
CG A:HIS118 4.7 34.4 1.0
CD2 A:HIS180 4.8 28.2 1.0
ND1 A:HIS180 4.8 28.6 1.0
CB A:CYS199 4.8 28.5 1.0
NE2 A:HIS241 4.9 30.5 1.0
NE2 A:HIS116 4.9 35.8 1.0

Chlorine binding site 2 out of 4 in 6v70

Go back to Chlorine Binding Sites List in 6v70
Chlorine binding site 2 out of 4 in the Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site


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 Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:64.7
occ:0.55
 CD A:CD307 2.9 31.4 0.9
O A:HOH506 3.2 39.4 0.3
O A:HOH488 3.6 30.4 1.0
SE A:MSE130 3.8 41.2 0.6
CD2 A:HIS129 4.4 35.1 1.0
NE2 A:HIS129 4.5 36.7 1.0
OD1 A:ASP126 4.5 34.7 1.0
CE A:MSE130 4.7 50.0 1.0

Chlorine binding site 3 out of 4 in 6v70

Go back to Chlorine Binding Sites List in 6v70
Chlorine binding site 3 out of 4 in the Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site


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 Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:35.5
occ:1.00
 CD A:CD305 2.7 33.2 1.0
O A:HOH410 3.1 46.8 1.0
O A:HOH429 3.2 29.8 1.0
N A:ASN211 3.5 35.1 1.0
O1 A:EDO303 3.6 65.6 1.0
CD2 A:HIS241 3.6 27.9 1.0
NE2 A:HIS241 3.6 30.5 1.0
CE1 A:HIS180 3.7 31.6 1.0
CL A:CL301 3.7 38.6 1.0
CA A:GLY210 3.9 34.9 1.0
NH1 A:ARG202 4.0 32.6 1.0
ND1 A:HIS180 4.2 28.6 1.0
C A:GLY210 4.3 38.8 1.0
SG A:CYS199 4.3 33.2 1.0
CB A:CYS199 4.3 28.5 1.0
CB A:ASN211 4.4 41.8 1.0
CA A:ASN211 4.5 38.7 1.0
NE2 A:HIS180 4.6 29.8 1.0
O A:ASN211 4.7 34.3 1.0
C1 A:EDO303 4.8 69.0 1.0
O A:CYS199 4.8 30.4 1.0
O A:HOH450 4.8 41.4 1.0
O A:LEU209 4.8 35.0 1.0
CA A:CYS199 4.9 30.3 1.0
CE1 A:HIS241 4.9 31.5 1.0
CG A:HIS241 5.0 28.9 1.0

Chlorine binding site 4 out of 4 in 6v70

Go back to Chlorine Binding Sites List in 6v70
Chlorine binding site 4 out of 4 in the Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site


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 Metallo Beta Lactamase From Hirschia Baltica with Cadmium in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:49.8
occ:1.00
 O A:HOH432 3.0 49.8 1.0
O A:HOH459 3.0 37.6 1.0
N A:LEU140 3.5 36.2 1.0
N A:ASP139 3.6 34.6 1.0
CA A:SER160 3.7 46.6 1.0
N A:SER160 3.7 46.7 1.0
C A:ILE159 3.7 45.6 1.0
N A:ILE159 3.7 38.4 1.0
CB A:THR138 3.8 34.1 1.0
CB A:ASP139 3.8 48.5 1.0
O A:ILE159 3.9 41.3 1.0
CB A:SER160 3.9 49.0 1.0
O A:LEU157 4.1 41.2 1.0
CA A:ASP139 4.1 36.5 1.0
CB A:LEU140 4.1 38.7 1.0
OG1 A:THR138 4.2 35.3 1.0
C A:ASP139 4.3 43.9 1.0
CA A:ILE159 4.4 42.4 1.0
C A:THR138 4.4 32.7 1.0
CA A:LEU140 4.4 45.1 1.0
CA A:THR138 4.6 30.4 1.0
CA A:ASN158 4.6 45.5 1.0
O A:HOH405 4.6 31.9 0.9
CG2 A:THR138 4.6 30.0 1.0
C A:ASN158 4.7 50.2 1.0
O A:HOH416 4.7 29.5 1.0
CG1 A:ILE159 4.8 39.8 1.0
OD2 A:ASP139 4.9 69.8 1.0
CG A:ASP139 4.9 63.5 1.0
O A:HOH486 5.0 59.8 1.0

Reference:

N.Maltseva, Y.Kim, S.Clancy, M.Endres, R.Mulligan, A.Joachimiak. Crystal Structure of Metallo Beta Lactamase From Hirschia Baltica. To Be Published.
Page generated: Mon Jul 29 16:09:28 2024

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