Atomistry » Chlorine » PDB 4x90-4xfz » 4xaq
Atomistry »
  Chlorine »
    PDB 4x90-4xfz »
      4xaq »

Chlorine in PDB 4xaq: MGLUR2 Ecd and MGLUR3 Ecd with Ligands

Protein crystallography data

The structure of MGLUR2 Ecd and MGLUR3 Ecd with Ligands, PDB code: 4xaq was solved by D.K.Clawson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.52 / 2.21
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 81.644, 159.652, 93.880, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the MGLUR2 Ecd and MGLUR3 Ecd with Ligands (pdb code 4xaq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the MGLUR2 Ecd and MGLUR3 Ecd with Ligands, PDB code: 4xaq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4xaq

Go back to Chlorine Binding Sites List in 4xaq
Chlorine binding site 1 out of 3 in the MGLUR2 Ecd and MGLUR3 Ecd with Ligands


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of MGLUR2 Ecd and MGLUR3 Ecd with Ligands within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:35.8
occ:1.00
OG A:SER91 3.0 31.5 1.0
N A:SER143 3.1 22.8 1.0
CB A:SER91 3.6 31.3 1.0
CB A:SER143 3.6 26.1 1.0
CG1 A:VAL147 3.6 25.8 1.0
N A:TYR144 3.7 27.6 1.0
CA A:SER143 3.8 23.4 1.0
N A:PRO39 3.9 27.5 1.0
CG2 A:VAL147 4.0 26.4 1.0
CD A:PRO39 4.0 27.1 1.0
CB A:VAL147 4.0 26.4 1.0
C A:GLY142 4.0 28.0 1.0
CA A:GLY142 4.1 24.1 1.0
CD2 A:TYR144 4.1 28.2 1.0
CB A:PRO39 4.1 28.4 1.0
OG A:SER143 4.1 36.1 1.0
CG A:PRO39 4.2 31.2 1.0
C A:PHE38 4.3 29.8 1.0
C A:SER143 4.3 29.5 1.0
CA A:PRO39 4.4 28.1 1.0
CB A:TYR144 4.6 27.6 1.0
CA A:PHE38 4.6 25.9 1.0
O A:LEU37 4.7 29.8 1.0
CA A:TYR144 4.7 27.7 1.0
CG A:TYR144 4.8 27.7 1.0
CG A:LEU37 4.8 36.4 1.0
O A:PHE38 4.8 29.6 1.0
N A:PHE38 4.9 27.1 1.0
CE2 A:TYR144 4.9 29.1 1.0
C A:LEU37 5.0 30.9 1.0
O A:TYR144 5.0 29.5 1.0
OH A:TYR165 5.0 31.2 1.0

Chlorine binding site 2 out of 3 in 4xaq

Go back to Chlorine Binding Sites List in 4xaq
Chlorine binding site 2 out of 3 in the MGLUR2 Ecd and MGLUR3 Ecd with Ligands


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of MGLUR2 Ecd and MGLUR3 Ecd with Ligands within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:68.8
occ:1.00
OH A:TYR144 2.9 37.6 1.0
N A:GLU273 3.1 33.3 1.0
CB A:GLU273 3.3 34.2 1.0
CB A:ARG271 3.4 32.8 1.0
CG A:GLU273 3.5 48.5 1.0
NE A:ARG271 3.7 51.1 1.0
CZ A:TYR144 3.7 36.5 1.0
N A:SER272 3.8 28.6 1.0
OG A:SER272 3.8 41.4 1.0
CA A:GLU273 3.8 32.6 1.0
CE1 A:TYR144 3.9 29.9 1.0
C A:ARG271 4.0 32.3 1.0
C A:SER272 4.2 36.8 1.0
O A:HOH765 4.2 32.0 1.0
NH1 A:ARG271 4.2 47.8 1.0
CA A:ARG271 4.2 30.5 1.0
O A:HOH795 4.3 43.1 1.0
O A:HOH807 4.3 65.0 1.0
CA A:SER272 4.4 29.3 1.0
CG A:ARG271 4.4 50.2 1.0
CZ A:ARG271 4.4 64.4 1.0
CD A:ARG271 4.5 52.2 1.0
N A:ASP274 4.6 33.8 1.0
O A:HOH797 4.6 41.6 1.0
CB A:SER272 4.7 29.8 1.0
O A:ARG271 4.7 30.2 1.0
C A:GLU273 4.7 36.4 1.0
CE2 A:TYR144 4.9 29.1 1.0
CD A:GLU273 5.0 62.9 1.0
OE1 A:GLN42 5.0 66.5 1.0

Chlorine binding site 3 out of 3 in 4xaq

Go back to Chlorine Binding Sites List in 4xaq
Chlorine binding site 3 out of 3 in the MGLUR2 Ecd and MGLUR3 Ecd with Ligands


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of MGLUR2 Ecd and MGLUR3 Ecd with Ligands within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:28.6
occ:1.00
OG B:SER91 3.0 29.6 1.0
N B:SER143 3.1 23.0 1.0
CB B:SER91 3.6 22.8 1.0
CG1 B:VAL147 3.7 19.6 1.0
CB B:SER143 3.7 22.1 1.0
N B:TYR144 3.7 22.0 1.0
CD B:PRO39 3.8 23.1 1.0
CA B:SER143 3.8 22.5 1.0
N B:PRO39 3.8 22.3 1.0
C B:GLY142 4.0 24.1 1.0
CA B:GLY142 4.0 21.8 1.0
CB B:VAL147 4.1 22.1 1.0
CB B:PRO39 4.1 23.6 1.0
CD2 B:TYR144 4.1 22.8 1.0
CG2 B:VAL147 4.1 21.4 1.0
C B:PHE38 4.1 25.4 1.0
CG B:PRO39 4.2 27.5 1.0
OG B:SER143 4.2 30.4 1.0
C B:SER143 4.3 25.9 1.0
CA B:PRO39 4.3 22.1 1.0
CA B:PHE38 4.5 20.1 1.0
CB B:TYR144 4.7 22.2 1.0
O B:PHE38 4.7 23.4 1.0
CA B:TYR144 4.7 21.9 1.0
CG B:TYR144 4.8 23.1 1.0
CG B:LEU37 4.8 28.2 1.0
N B:PHE38 4.8 19.2 1.0
O B:LEU37 4.9 24.8 1.0
CE2 B:TYR144 4.9 23.5 1.0
OH B:TYR165 4.9 23.8 1.0
CA B:SER91 5.0 24.4 1.0

Reference:

J.A.Monn, L.Prieto, L.Taboada, C.Pedregal, J.Hao, M.R.Reinhard, S.S.Henry, P.J.Goldsmith, C.D.Beadle, L.Walton, T.Man, H.Rudyk, B.Clark, D.Tupper, S.R.Baker, C.Lamas, C.Montero, A.Marcos, J.Blanco, M.Bures, D.K.Clawson, S.Atwell, F.Lu, J.Wang, M.Russell, B.A.Heinz, X.Wang, J.H.Carter, C.Xiang, J.T.Catlow, S.Swanson, M.P.Johnson, K.L.Knopp, R.M.Simmons, B.G.Johnson, D.B.Shaw, D.L.Mckinzie. Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]Hexane-2,6-Dicarboxylate: Identification of A Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human MGLU2 and MGLU3 Amino Terminal Domain Structures. J.Med.Chem. 2015.
ISSN: ISSN 0022-2623
PubMed: 25602126
DOI: 10.1021/JM501612Y
Page generated: Sat Dec 12 11:20:02 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