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Chlorine in PDB 4f0y: Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo

Enzymatic activity of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo

All present enzymatic activity of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo:
2.3.1.82;

Protein crystallography data

The structure of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo, PDB code: 4f0y was solved by P.J.Stogios, E.Evdokimova, A.Dong, G.Minasov, V.Yim, P.Courvalin, A.Savchenko, W.F.Anderson, 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) 24.07 / 2.56
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 37.963, 44.018, 46.576, 83.19, 87.44, 72.65
R / Rfree (%) 18.1 / 24

Other elements in 4f0y:

The structure of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo (pdb code 4f0y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo, PDB code: 4f0y:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4f0y

Go back to Chlorine Binding Sites List in 4f0y
Chlorine binding site 1 out of 3 in the Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo


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 Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:62.9
occ:1.00
 N A:ALA85 3.4 40.6 1.0
CB A:ALA85 3.6 44.6 1.0
CD A:PRO84 3.6 39.9 1.0
CB A:LEU83 3.8 37.5 1.0
N A:PRO84 3.8 41.9 1.0
CA A:ALA85 4.1 44.7 1.0
CB A:PRO84 4.1 37.0 1.0
C A:LEU83 4.1 37.1 1.0
CG A:PRO84 4.2 37.7 1.0
C A:PRO84 4.3 42.0 1.0
CA A:PRO84 4.4 39.4 1.0
CA A:LEU83 4.4 34.9 1.0
CD2 A:LEU83 4.4 38.2 1.0
CG A:LEU83 4.4 38.5 1.0
CD1 A:LEU83 4.4 36.3 1.0
O A:LEU83 4.8 32.8 1.0
ND1 A:HIS86 5.0 41.4 1.0

Chlorine binding site 2 out of 3 in 4f0y

Go back to Chlorine Binding Sites List in 4f0y
Chlorine binding site 2 out of 3 in the Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo


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 Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:68.5
occ:1.00
 N B:ILE80 3.1 33.7 1.0
CA B:GLY79 3.5 31.4 1.0
O B:HOH308 3.6 19.2 1.0
O B:ILE80 3.6 39.6 1.0
O B:HOH338 3.7 29.8 1.0
CG2 B:ILE80 3.8 28.8 1.0
C B:GLY79 3.8 34.0 1.0
O B:HOH337 3.8 32.9 1.0
CA B:ILE80 4.1 33.3 1.0
C B:ILE80 4.3 35.7 1.0
CD1 B:LEU21 4.4 26.3 1.0
OG B:SER122 4.5 26.9 1.0
CE1 B:HIS126 4.6 27.2 1.0
CB B:ILE80 4.6 26.8 1.0
N B:GLY79 4.6 32.5 1.0
O B:GLY79 5.0 36.8 1.0
O B:GLU78 5.0 33.0 1.0

Chlorine binding site 3 out of 3 in 4f0y

Go back to Chlorine Binding Sites List in 4f0y
Chlorine binding site 3 out of 3 in the Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo


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 Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus, Apo within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:57.0
occ:1.00
 O B:HOH308 2.9 19.2 1.0
N B:ALA116 3.0 21.2 1.0
ND2 B:ASN119 3.1 26.6 1.0
CA B:ALA115 3.7 22.6 1.0
CB B:ALA116 3.8 9.2 1.0
C B:ALA115 3.8 23.0 1.0
CB B:ASN119 3.9 29.1 1.0
CB B:ALA115 3.9 20.4 1.0
CG B:ASN119 4.0 29.5 1.0
CA B:ALA116 4.0 20.8 1.0
O B:HOH337 4.1 32.9 1.0
O B:HOH333 4.2 24.8 1.0
O B:HOH338 4.5 29.8 1.0
OG B:SER122 4.7 26.9 1.0
CB B:SER122 4.7 26.8 1.0
O B:ALA116 4.9 14.9 1.0
O B:ASP114 4.9 30.3 1.0
N B:ALA115 5.0 25.7 1.0
C B:ALA116 5.0 19.6 1.0

Reference:

P.J.Stogios, M.L.Kuhn, E.Evdokimova, M.Law, P.Courvalin, A.Savchenko. Structural and Biochemical Characterization of Acinetobacter Spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation Among Antibiotic Resistance Enzymes. Acs Infect Dis. V. 3 132 2017.
ISSN: ESSN 2373-8227
PubMed: 27785912
DOI: 10.1021/ACSINFECDIS.6B00058
Page generated: Sun Jul 21 13:29:04 2024

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