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: Sat Dec 12 14:30:50 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy