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Chlorine in PDB 4evy: Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin

Enzymatic activity of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin

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

Protein crystallography data

The structure of Crystal Structure of Aminoglycoside Antibiotic 6'-N-Acetyltransferase Aac(6')-Ig From Acinetobacter Haemolyticus in Complex with Tobramycin, PDB code: 4evy was solved by P.J.Stogios, E.Evdokimova, G.Minasov, V.Yim, P.Courvalin, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.97 / 1.77
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 39.723, 43.789, 46.282, 83.65, 87.49, 68.41
R / Rfree (%) 16.7 / 21.3

Other elements in 4evy:

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

Potassium (K) 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 in Complex with Tobramycin (pdb code 4evy). 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 in Complex with Tobramycin, PDB code: 4evy:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4evy

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


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 in Complex with Tobramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:45.6
occ:0.97
 O A:HOH391 2.7 51.9 1.0
NH2 A:ARG127 3.4 44.6 1.0
NE A:ARG127 3.8 40.8 1.0
CZ A:ARG127 4.0 34.8 1.0
O A:HOH330 4.4 28.5 1.0
CB A:ALA124 4.6 21.1 1.0
O A:HOH312 5.0 26.5 1.0

Chlorine binding site 2 out of 3 in 4evy

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


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 in Complex with Tobramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:30.5
occ:0.75
 O A:HOH325 3.0 31.6 1.0
N A:ALA116 3.1 21.4 1.0
ND2 A:ASN119 3.3 32.6 1.0
CB A:ALA116 3.6 27.4 1.0
C61 A:TOY201 3.9 36.2 1.0
CA A:ALA116 4.0 25.2 1.0
CB A:ASN119 4.0 21.3 1.0
O A:HOH377 4.0 52.6 1.0
CA A:ALA115 4.0 17.2 1.0
C A:ALA115 4.0 23.3 1.0
C41 A:TOY201 4.1 33.3 1.0
CG A:ASN119 4.1 26.3 1.0
O41 A:TOY201 4.3 31.9 1.0
CB A:ALA115 4.3 19.5 1.0
C51 A:TOY201 4.5 25.3 1.0
OG A:SER122 4.8 28.1 1.0
O51 A:TOY201 4.9 23.7 1.0
O A:ALA116 4.9 23.3 1.0
CB A:SER122 4.9 22.8 1.0
N61 A:TOY201 4.9 35.2 1.0
C A:ALA116 5.0 26.6 1.0

Chlorine binding site 3 out of 3 in 4evy

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


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 in Complex with Tobramycin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:30.4
occ:0.71
 O B:HOH321 2.8 30.5 1.0
O A:HOH384 2.8 33.3 0.5
ND2 B:ASN119 3.0 33.8 1.0
N B:ALA116 3.0 23.2 1.0
CB B:ALA116 3.7 24.9 1.0
O B:HOH333 3.8 34.8 1.0
CA B:ALA115 3.8 19.5 1.0
C61 B:TOY201 3.9 29.4 1.0
CB B:ASN119 3.9 27.4 1.0
C B:ALA115 3.9 19.2 1.0
CG B:ASN119 3.9 31.0 1.0
CA B:ALA116 4.0 23.7 1.0
C41 B:TOY201 4.1 24.1 1.0
CB B:ALA115 4.2 21.7 1.0
O41 B:TOY201 4.3 32.4 1.0
O A:HOH384 4.4 26.5 0.5
CB B:SER122 4.5 22.9 1.0
C51 B:TOY201 4.5 23.6 1.0
O B:HOH402 4.5 48.0 1.0
OG B:SER122 4.6 24.8 1.0
N61 B:TOY201 4.8 28.3 1.0
O B:ALA116 4.8 22.5 1.0
O B:HOH331 4.8 35.0 1.0
O51 B:TOY201 4.9 22.3 1.0
C B:ALA116 5.0 21.9 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 13:23:04 2024

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