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Chlorine in PDB 6wif: Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid

Enzymatic activity of Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid

All present enzymatic activity of Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid:
3.5.2.6;

Protein crystallography data

The structure of Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid, PDB code: 6wif was solved by C.Chang, N.Maltseva, M.Endres, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.38 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 93.244, 80.925, 104.377, 90.00, 113.34, 90.00
R / Rfree (%) 19.3 / 24

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid (pdb code 6wif). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid, PDB code: 6wif:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6wif

Go back to Chlorine Binding Sites List in 6wif
Chlorine binding site 1 out of 3 in the Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:75.5
occ:1.00
 CG2 A:VAL119 3.4 55.6 1.0
CG1 A:VAL119 3.5 56.2 1.0
N A:VAL119 3.5 55.0 1.0
CD1 A:TRP117 3.5 58.5 1.0
N A:LYS118 3.7 57.9 1.0
NE1 A:TRP117 3.9 59.2 1.0
CB A:VAL119 3.9 55.1 1.0
CB A:LYS118 4.0 62.8 1.0
CA A:LYS118 4.2 58.4 1.0
C A:LYS118 4.3 55.4 1.0
CA A:VAL119 4.3 55.3 1.0
C A:TRP117 4.5 55.1 1.0
CG A:TRP117 4.8 56.6 1.0
CA A:TRP117 4.9 53.5 1.0
CG A:LYS118 4.9 65.0 1.0

Chlorine binding site 2 out of 3 in 6wif

Go back to Chlorine Binding Sites List in 6wif
Chlorine binding site 2 out of 3 in the Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl407

b:0.9
occ:1.00
 O C:HOH590 2.3 36.6 1.0
ND2 C:ASN341 2.6 27.1 1.0
O3S C:EPE403 3.0 64.5 1.0
O2S C:EPE403 3.0 68.6 1.0
CG C:ASN341 3.3 26.4 1.0
CB C:ASN341 3.4 21.2 1.0
C1 C:U2Y401 3.6 43.5 1.0
S C:EPE403 3.6 64.7 1.0
N C:ASN341 3.7 21.1 1.0
CA C:VAL236 3.8 25.1 1.0
CG2 C:VAL236 3.8 20.1 1.0
CB C:VAL236 4.1 20.1 1.0
CA C:ASN341 4.2 22.3 1.0
O1S C:EPE403 4.3 50.4 1.0
OD1 C:ASN341 4.4 28.4 1.0
N C:VAL236 4.5 17.1 1.0
CB C:THR340 4.6 17.9 1.0
C2 C:U2Y401 4.7 45.6 1.0
CD1 C:ILE234 4.7 29.7 1.0
O C:HOH592 4.7 14.6 1.0
O C:ARG235 4.8 27.4 1.0
C C:THR340 4.8 20.1 1.0
N C:ASN237 4.9 51.1 1.0
C C:ARG235 4.9 21.7 1.0
C C:VAL236 4.9 36.5 1.0
CG1 C:ILE234 5.0 25.5 1.0

Chlorine binding site 3 out of 3 in 6wif

Go back to Chlorine Binding Sites List in 6wif
Chlorine binding site 3 out of 3 in the Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4- (Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl408

b:65.1
occ:1.00
 N C:GLU64 3.3 30.1 1.0
O C:GLU64 3.7 26.3 1.0
CB C:GLU64 3.9 26.1 1.0
CA C:GLU64 4.0 28.7 1.0
CA C:TYR63 4.1 32.3 1.0
C C:TYR63 4.2 28.9 1.0
O C:LYS62 4.3 35.6 1.0
C C:GLU64 4.3 28.7 1.0
CG C:GLU64 4.4 27.6 1.0
CD B:LYS217 4.7 40.1 1.0
CD C:GLU64 4.9 28.6 1.0
O C:HOH618 4.9 33.8 1.0

Reference:

C.Chang, N.Maltseva, M.Endres, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Class C Beta-Lactamase From Acinetobacter Baumannii in Complex with 4-(Ethyl(Methyl)Carbamoyl)Phenyl Boronic Acid To Be Published.
Page generated: Mon Jul 29 16:45:50 2024

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