Chlorine in PDB 6yk4: Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound ( S) - 1- [2'-Amino-2'-Carboxyethyl]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A

Protein crystallography data

The structure of Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound ( S) - 1- [2'-Amino-2'-Carboxyethyl]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A, PDB code: 6yk4 was solved by K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.54 / 1.00
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 59.213, 96.542, 48.543, 90.00, 90.00, 90.00
R / Rfree (%) 10.7 / 12

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound ( S) - 1- [2'-Amino-2'-Carboxyethyl]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A (pdb code 6yk4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound ( S) - 1- [2'-Amino-2'-Carboxyethyl]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A, PDB code: 6yk4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6yk4

Go back to Chlorine Binding Sites List in 6yk4
Chlorine binding site 1 out of 2 in the Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound ( S) - 1- [2'-Amino-2'-Carboxyethyl]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound ( S) - 1- [2'-Amino-2'-Carboxyethyl]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:48.2
occ:1.00
N A:THR5 3.3 11.7 1.0
OG1 A:THR5 3.7 15.4 1.0
CA A:LYS4 3.9 14.6 1.0
CB A:THR5 3.9 12.3 1.0
CB A:LYS4 4.0 17.0 1.0
O A:HOH558 4.1 21.0 1.0
C A:LYS4 4.1 13.7 1.0
O A:HOH412 4.1 33.0 1.0
CA A:THR5 4.2 10.6 1.0
CG A:LYS4 4.2 19.0 1.0
CE A:LYS4 4.8 22.9 1.0
O A:THR5 5.0 10.7 1.0

Chlorine binding site 2 out of 2 in 6yk4

Go back to Chlorine Binding Sites List in 6yk4
Chlorine binding site 2 out of 2 in the Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound ( S) - 1- [2'-Amino-2'-Carboxyethyl]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Ampa Receptor GLUA2O Ligand-Binding Domain (S1S2J) in Complex with the Compound ( S) - 1- [2'-Amino-2'-Carboxyethyl]-6- Methyl-5 ,7- Dihydropyrrolo[3,4-D]Pyrimidin-2,4(1H,3H)-Dione at Resolution 1.00A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:30.2
occ:0.86
O A:HOH636 3.2 14.4 1.0
N A:MET19 3.3 8.0 1.0
CB A:MET19 3.8 11.6 0.2
O A:HOH652 3.8 36.5 1.0
CA A:MET18 4.0 7.6 0.6
CA A:MET18 4.0 7.3 0.4
CB A:MET19 4.1 9.9 0.8
CA A:MET19 4.2 9.6 0.2
C A:MET18 4.2 7.3 1.0
CA A:MET19 4.2 8.6 0.8
CG A:MET19 4.2 8.8 0.8
CG A:MET19 4.3 12.8 0.2
CB A:MET18 4.3 10.3 0.6
O A:MET19 4.4 10.7 1.0
CB A:MET18 4.4 8.9 0.4
CD2 A:LEU12 4.7 15.0 1.0
CD1 A:LEU12 4.8 14.2 1.0
C A:MET19 4.8 9.4 1.0
CG A:MET18 4.9 11.7 0.6

Reference:

K.Frydenvang, D.S.Pickering, G.U.Kshirsagar, G.Chemi, S.Gemma, D.Sprogoe, A.M.KæRn, S.Brogi, G.Campiani, S.Butini, J.S.Kastrup. The Ionotropic Glutamate Receptor GLUA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions. Acs Chem Neurosci 2020.
ISSN: ESSN 1948-7193
PubMed: 32437601
DOI: 10.1021/ACSCHEMNEURO.0C00195
Page generated: Sat Dec 12 14:43:03 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