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Chlorine in PDB 3f9o: Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila

Enzymatic activity of Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila

All present enzymatic activity of Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila, PDB code: 3f9o was solved by H.Delbruck, K.M.V.Hoffmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.56 / 2.03
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 42.800, 101.050, 116.490, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 20.2

Other elements in 3f9o:

The structure of Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila also contains other interesting chemical elements:

Zinc (Zn) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila (pdb code 3f9o). 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 the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila, PDB code: 3f9o:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3f9o

Go back to Chlorine Binding Sites List in 3f9o
Chlorine binding site 1 out of 6 in the Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila


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 the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl7

b:23.1
occ:1.00
 O A:HOH19 3.0 8.8 1.0
ND2 A:ASN116 3.0 11.7 1.0
ND2 A:ASN220 3.2 17.0 1.0
CG A:ASN220 3.5 16.6 1.0
CG1 A:ILE222 3.6 12.7 1.0
CB A:CYS221 3.7 14.0 1.0
OG1 A:THR197 3.7 12.7 1.0
CA A:GLY200 3.8 9.9 1.0
N A:CYS221 3.8 14.4 1.0
OD1 A:ASN220 3.8 15.8 1.0
CD2 A:HIS196 3.9 13.1 1.0
CB A:HIS196 4.0 11.1 1.0
N A:ILE222 4.0 13.6 1.0
CG A:ASN116 4.1 11.8 1.0
CA A:CYS221 4.1 14.0 1.0
CB A:ASN116 4.2 10.6 1.0
C A:CYS221 4.2 13.9 1.0
CB A:ASN220 4.3 16.0 1.0
CG A:HIS196 4.3 12.7 1.0
CD1 A:ILE222 4.4 11.5 1.0
N A:THR197 4.4 10.8 1.0
SG A:CYS221 4.4 14.0 1.0
N A:GLY200 4.6 10.0 1.0
C A:GLY200 4.7 10.2 1.0
CG2 A:THR197 4.7 13.0 1.0
CB A:THR197 4.7 11.4 1.0
CA A:ILE222 4.7 13.5 1.0
CB A:ILE222 4.8 13.6 1.0
O A:HOH20 4.8 9.9 1.0
CA A:HIS196 4.9 10.8 1.0
C A:ASN220 4.9 15.0 1.0
O A:CYS221 4.9 13.8 1.0
N A:HIS196 5.0 10.7 1.0
O A:THR115 5.0 8.9 1.0
C A:HIS196 5.0 10.7 1.0

Chlorine binding site 2 out of 6 in 3f9o

Go back to Chlorine Binding Sites List in 3f9o
Chlorine binding site 2 out of 6 in the Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila


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 the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl8

b:48.0
occ:1.00
 NE A:ARG158 3.7 16.9 1.0
O A:HOH339 3.8 13.8 1.0
NH2 A:ARG158 3.9 17.2 1.0
CZ A:ARG158 4.3 17.5 1.0
CA A:ALA155 4.7 11.4 1.0
CD A:ARG158 4.7 15.4 1.0
CB A:ALA155 4.7 11.7 1.0

Chlorine binding site 3 out of 6 in 3f9o

Go back to Chlorine Binding Sites List in 3f9o
Chlorine binding site 3 out of 6 in the Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila


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 the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl9

b:41.3
occ:1.00
 O A:HOH393 2.9 31.6 1.0
N A:GLN47 3.3 10.3 1.0
CB A:GLN47 3.7 10.6 1.0
CA A:THR46 4.1 10.2 1.0
CG2 A:THR46 4.1 11.1 1.0
CA A:GLN47 4.2 10.5 1.0
C A:THR46 4.2 10.1 1.0
CE2 A:TYR53 4.5 12.7 1.0
CB A:THR46 4.7 10.1 1.0
O A:LEU45 4.7 9.6 1.0
OE1 A:GLN47 5.0 13.7 1.0
O A:GLN47 5.0 9.9 1.0

Chlorine binding site 4 out of 6 in 3f9o

Go back to Chlorine Binding Sites List in 3f9o
Chlorine binding site 4 out of 6 in the Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila


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 the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl10

b:30.5
occ:1.00
 ZN A:ZN310 3.2 20.9 0.8
CL A:CL11 3.7 34.7 1.0
CE1 A:HIS289 4.2 12.6 1.0
ND1 A:HIS289 4.2 12.8 1.0
CL A:CL12 4.7 41.7 1.0
OE2 A:GLU225 4.8 22.6 1.0

Chlorine binding site 5 out of 6 in 3f9o

Go back to Chlorine Binding Sites List in 3f9o
Chlorine binding site 5 out of 6 in the Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila


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 the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl11

b:34.7
occ:1.00
 ZN A:ZN310 2.2 20.9 0.8
N A:LEU293 3.5 10.6 1.0
CA A:LEU293 3.6 10.7 1.0
ND1 A:HIS289 3.6 12.8 1.0
CL A:CL10 3.7 30.5 1.0
CL A:CL12 3.7 41.7 1.0
CD1 A:LEU293 3.8 11.2 1.0
C A:GLU292 3.8 11.0 1.0
CB A:HIS296 4.0 12.7 1.0
O A:GLU292 4.1 10.5 1.0
CB A:LEU293 4.1 10.3 1.0
CB A:GLU292 4.3 11.1 0.4
CB A:GLU292 4.3 11.3 0.6
CG A:HIS296 4.3 13.4 1.0
CG A:HIS289 4.3 10.9 1.0
CE1 A:HIS289 4.4 12.6 1.0
CB A:HIS289 4.4 10.9 1.0
CG A:LEU293 4.6 10.7 1.0
CA A:GLU292 4.7 11.0 1.0
CD2 A:HIS296 4.7 13.9 1.0
C A:LEU293 4.9 10.8 1.0
ND1 A:HIS296 5.0 15.6 1.0
OE1 A:GLU292 5.0 10.8 0.4

Chlorine binding site 6 out of 6 in 3f9o

Go back to Chlorine Binding Sites List in 3f9o
Chlorine binding site 6 out of 6 in the Crystal Structure of the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila


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 the Di-Zinc Carbapenemase Cpha From Aeromonas Hydrophila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl12

b:41.7
occ:1.00
 ZN A:ZN310 2.2 20.9 0.8
N A:GLY290 3.3 10.9 1.0
ND1 A:HIS289 3.6 12.8 1.0
CA A:HIS289 3.7 10.6 1.0
CL A:CL11 3.7 34.7 1.0
CB A:HIS289 3.8 10.9 1.0
C A:HIS289 4.0 10.7 1.0
CG A:HIS289 4.1 10.9 1.0
CA A:GLY290 4.3 11.3 1.0
OE1 A:GLU292 4.5 10.8 0.6
CL A:CL10 4.7 30.5 1.0
CE1 A:HIS289 4.7 12.6 1.0
O A:LEU267 4.8 10.8 1.0
O A:HOH394 4.9 26.6 1.0
O A:GLY290 4.9 10.4 1.0
N A:HIS289 5.0 10.7 1.0
C A:GLY290 5.0 10.9 1.0

Reference:

C.Bebrone, H.Delbruck, M.B.Kupper, P.Schlomer, C.Willmann, J.-M.Frere, R.Fischer, M.Galleni, K.M.V.Hoffmann. The Structure of the Dizinc Subclass B2 Metallo-Beta-Lactamase Cpha Reveals That the Second Inhibitory Zinc Ion Binds in the Histidine Site Antimicrob.Agents Chemother. V. 53 4464 2009.
ISSN: ISSN 0066-4804
PubMed: 19651913
DOI: 10.1128/AAC.00288-09
Page generated: Sat Jul 20 19:13:40 2024

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