Chlorine in PDB 6cgg: Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin

Enzymatic activity of Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin

All present enzymatic activity of Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin:
2.7.1.190;

Protein crystallography data

The structure of Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin, PDB code: 6cgg was solved by S.J.Caldwell, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 90.14 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 90.330, 99.780, 93.510, 90.00, 105.43, 90.00
R / Rfree (%) 17.8 / 22.3

Other elements in 6cgg:

The structure of Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin (pdb code 6cgg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin, PDB code: 6cgg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6cgg

Go back to Chlorine Binding Sites List in 6cgg
Chlorine binding site 1 out of 3 in the Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:83.0
occ:1.00
 NE2 A:GLN462 3.2 81.8 1.0
CB A:GLU466 3.5 72.8 1.0
CA A:GLU466 3.6 66.8 1.0
NH1 A:ARG469 3.7 59.8 1.0
N A:GLU466 3.7 65.2 1.0
CG A:GLU466 3.9 77.4 1.0
CG2 A:ILE465 3.9 62.9 1.0
CD A:ARG469 4.2 52.5 1.0
C A:ILE465 4.2 63.3 1.0
CD A:GLN462 4.3 85.2 1.0
CB A:ILE465 4.4 63.0 1.0
O A:GLN462 4.4 74.8 1.0
CG A:GLN462 4.5 84.2 1.0
CZ A:ARG469 4.5 55.8 1.0
O A:ILE465 4.7 59.6 1.0
NE A:ARG469 4.7 53.3 1.0
OE1 A:GLU466 4.9 93.9 1.0
CD A:GLU466 5.0 85.3 1.0
CA A:ILE465 5.0 62.0 1.0

Chlorine binding site 2 out of 3 in 6cgg

Go back to Chlorine Binding Sites List in 6cgg
Chlorine binding site 2 out of 3 in the Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl802

b:98.3
occ:1.00
 O A:HOH1282 2.6 49.4 1.0
NE2 B:GLN462 2.9 82.9 1.0
NH1 B:ARG469 3.4 59.0 1.0
CG2 B:ILE465 4.0 59.8 1.0
CD B:GLN462 4.1 83.9 1.0
CZ B:ARG469 4.6 56.9 1.0
OE1 B:GLN462 4.8 82.2 1.0

Chlorine binding site 3 out of 3 in 6cgg

Go back to Chlorine Binding Sites List in 6cgg
Chlorine binding site 3 out of 3 in the Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Aminoglycoside Phosphotransferase (2'')-Ia in Complex with Gmppnp, Magnesium, and Arbekacin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl802

b:67.8
occ:1.00
 NE2 C:GLN462 3.4 58.2 1.0
NH1 C:ARG469 3.4 39.7 1.0
CA C:GLU466 3.7 48.5 1.0
CB C:GLU466 3.7 54.8 1.0
N C:GLU466 3.8 47.0 1.0
CG2 C:ILE465 3.8 42.3 1.0
CD C:ARG469 3.9 36.7 1.0
CG C:GLU466 4.2 59.7 1.0
C C:ILE465 4.2 44.8 1.0
CZ C:ARG469 4.3 38.8 1.0
CB C:ILE465 4.4 43.8 1.0
CD C:GLN462 4.5 60.6 1.0
NE C:ARG469 4.5 37.6 1.0
O C:ILE465 4.6 42.2 1.0
O C:GLN462 4.6 54.0 1.0
CG C:GLN462 4.7 59.4 1.0
CA C:ILE465 4.9 44.4 1.0

Reference:

S.J.Caldwell, A.M.Berghuis. Plasticity of Aminoglycoside Binding to Antibiotic Kinase Aph(2′′)-Ia. Antimicrob. Agents V. 62 2018CHEMOTHER..
ISSN: ESSN 1098-6596
PubMed: 29661878
DOI: 10.1128/AAC.00202-18
Page generated: Sat Dec 12 12:49:33 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