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Zinc in PDB 3lsw: Aniracetam Bound to the Ligand Binding Domain of GLUA3

Protein crystallography data

The structure of Aniracetam Bound to the Ligand Binding Domain of GLUA3, PDB code: 3lsw was solved by A.H.Ahmed, R.E.Oswald, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.73 / 1.75
Space group P 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 47.060, 47.364, 137.409, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 21.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Aniracetam Bound to the Ligand Binding Domain of GLUA3 (pdb code 3lsw). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Aniracetam Bound to the Ligand Binding Domain of GLUA3, PDB code: 3lsw:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3lsw

Go back to Zinc Binding Sites List in 3lsw
Zinc binding site 1 out of 2 in the Aniracetam Bound to the Ligand Binding Domain of GLUA3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Aniracetam Bound to the Ligand Binding Domain of GLUA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1

b:32.8
occ:1.00
NE2 A:HIS23 2.3 26.9 1.0
CE1 A:HIS23 3.2 27.1 1.0
CD2 A:HIS23 3.3 26.4 1.0
ND1 A:HIS23 4.3 26.6 1.0
OE2 A:GLU24 4.4 33.7 1.0
CG A:HIS23 4.4 25.1 1.0
O A:HOH546 4.5 39.6 1.0
CD2 A:TYR19 4.7 29.9 1.0
CD A:GLU24 4.9 29.6 1.0
CB A:TYR19 4.9 23.3 1.0
CG A:GLU24 5.0 27.8 1.0

Zinc binding site 2 out of 2 in 3lsw

Go back to Zinc Binding Sites List in 3lsw
Zinc binding site 2 out of 2 in the Aniracetam Bound to the Ligand Binding Domain of GLUA3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Aniracetam Bound to the Ligand Binding Domain of GLUA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2

b:30.5
occ:1.00
OE1 A:GLU42 2.3 38.0 1.0
NE2 A:HIS46 2.9 33.7 1.0
CD2 A:HIS46 3.4 33.2 1.0
CD A:GLU42 3.6 31.8 1.0
O A:HOH601 3.9 41.5 1.0
CD2 A:LEU241 3.9 23.1 1.0
CE1 A:HIS46 3.9 35.0 1.0
CD A:LYS45 4.2 39.7 1.0
OE2 A:GLU42 4.3 39.1 1.0
CB A:GLU42 4.5 19.4 1.0
O A:GLU42 4.6 24.7 1.0
CG A:GLU42 4.6 23.1 1.0
CG A:HIS46 4.6 30.7 1.0
CA A:GLU42 4.7 20.0 1.0
NE2 A:GLN244 4.7 34.0 1.0
ND1 A:HIS46 4.8 32.7 1.0
CG A:LYS45 4.9 36.9 1.0

Reference:

A.H.Ahmed, R.E.Oswald. Piracetam Defines A New Binding Site For Allosteric Modulators of Alpha-Amino-3-Hydroxy-5-Methyl-4-Isoxazole-Propionic Acid (Ampa) Receptors. J.Med.Chem. V. 53 2197 2010.
ISSN: ISSN 0022-2623
PubMed: 20163115
DOI: 10.1021/JM901905J
Page generated: Wed Dec 16 04:32:59 2020

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