Atomistry » Chlorine » PDB 3rv4-3s8n » 3s2v
Atomistry »
  Chlorine »
    PDB 3rv4-3s8n »
      3s2v »

Chlorine in PDB 3s2v: Crystal Structure of the Ligand Binding Domain of GLUK1 in Complex with An Antagonist (S)-1-(2'-Amino-2'-Carboxyethyl)-3-[(2- Carboxythien-3-Yl)Methyl]Thieno[3,4-D]Pyrimidin-2,4-Dione at 2.5 A Resolution

Protein crystallography data

The structure of Crystal Structure of the Ligand Binding Domain of GLUK1 in Complex with An Antagonist (S)-1-(2'-Amino-2'-Carboxyethyl)-3-[(2- Carboxythien-3-Yl)Methyl]Thieno[3,4-D]Pyrimidin-2,4-Dione at 2.5 A Resolution, PDB code: 3s2v was solved by R.Venskutonyte, K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.78 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.459, 93.353, 107.171, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 25.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Ligand Binding Domain of GLUK1 in Complex with An Antagonist (S)-1-(2'-Amino-2'-Carboxyethyl)-3-[(2- Carboxythien-3-Yl)Methyl]Thieno[3,4-D]Pyrimidin-2,4-Dione at 2.5 A Resolution (pdb code 3s2v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Ligand Binding Domain of GLUK1 in Complex with An Antagonist (S)-1-(2'-Amino-2'-Carboxyethyl)-3-[(2- Carboxythien-3-Yl)Methyl]Thieno[3,4-D]Pyrimidin-2,4-Dione at 2.5 A Resolution, PDB code: 3s2v:

Chlorine binding site 1 out of 1 in 3s2v

Go back to Chlorine Binding Sites List in 3s2v
Chlorine binding site 1 out of 1 in the Crystal Structure of the Ligand Binding Domain of GLUK1 in Complex with An Antagonist (S)-1-(2'-Amino-2'-Carboxyethyl)-3-[(2- Carboxythien-3-Yl)Methyl]Thieno[3,4-D]Pyrimidin-2,4-Dione at 2.5 A Resolution


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 the Ligand Binding Domain of GLUK1 in Complex with An Antagonist (S)-1-(2'-Amino-2'-Carboxyethyl)-3-[(2- Carboxythien-3-Yl)Methyl]Thieno[3,4-D]Pyrimidin-2,4-Dione at 2.5 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl261

b:50.7
occ:1.00
O B:HOH383 3.1 27.9 1.0
N B:SER173 3.4 23.0 1.0
CB B:ASN172 3.7 25.2 1.0
CAH B:3HU258 3.7 20.8 1.0
OG B:SER173 3.8 38.8 1.0
CA B:ASN172 4.0 25.8 1.0
C B:ASN172 4.2 26.3 1.0
CB B:SER173 4.2 27.6 1.0
CA B:SER173 4.4 24.5 1.0
SAO B:3HU258 4.5 33.1 1.0
O B:HOH379 4.8 28.0 1.0
CG B:ASN172 4.8 24.7 1.0
CAI B:3HU258 4.9 18.8 1.0

Reference:

R.Venskutonyte, S.Butini, S.S.Coccone, S.Gemma, M.Brindisi, V.Kumar, E.Guarino, S.Maramai, S.Valenti, A.Amir, E.A.Valades, K.Frydenvang, J.S.Kastrup, E.Novellino, G.Campiani, D.S.Pickering. Selective Kainate Receptor (GLUK1) Ligands Structurally Based Upon 1H-Cyclopentapyrimidin-2,4(1H,3H)-Dione: Synthesis, Molecular Modeling, and Pharmacological and Biostructural Characterization. J.Med.Chem. V. 54 4793 2011.
ISSN: ISSN 0022-2623
PubMed: 21619066
DOI: 10.1021/JM2004078
Page generated: Fri Jul 11 10:05:08 2025

Last articles

Cl in 4AK8
Cl in 4AK7
Cl in 4AJZ
Cl in 4AIN
Cl in 4AIR
Cl in 4AI9
Cl in 4AI3
Cl in 4AI2
Cl in 4AI1
Cl in 4AI0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy