Chlorine in PDB 5fho: Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution

The structure of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution, PDB code: 5fho 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)	44.05 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.983, 109.982, 144.208, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution (pdb code 5fho). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution, PDB code: 5fho:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 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 GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:50.9 occ:1.00 CL1 A:5XN301 0.0 50.9 1.0 C13 A:5XN301 1.7 37.6 1.0 C12 A:5XN301 2.7 38.1 1.0 C14 A:5XN301 2.7 35.0 1.0 H12 A:5XN301 2.9 45.7 1.0 H14 A:5XN301 2.9 42.0 1.0 HE2 A:TYR16 2.9 35.3 1.0 HA A:MET196 3.0 41.7 1.0 HB A:THR195 3.1 41.0 1.0 O A:THR195 3.1 34.6 1.0 HZ2 A:TRP255 3.2 38.4 1.0 HB2 A:TYR199 3.3 40.8 1.0 HD2 A:PRO15 3.4 38.0 1.0 C A:THR195 3.4 31.5 1.0 HB3 A:TYR199 3.4 40.8 1.0 N A:MET196 3.7 28.8 1.0 CE2 A:TYR16 3.7 29.4 1.0 HD3 A:PRO15 3.7 38.0 1.0 CB A:TYR199 3.7 34.0 1.0 CA A:MET196 3.7 34.7 1.0 HE1 A:TRP255 3.8 46.6 1.0 CB A:THR195 3.9 34.2 1.0 CZ2 A:TRP255 4.0 32.0 1.0 CD A:PRO15 4.0 31.6 1.0 C17 A:5XN301 4.0 46.3 1.0 C15 A:5XN301 4.0 38.2 1.0 HB2 A:MET196 4.1 39.4 1.0 CG A:TYR199 4.1 38.2 1.0 O A:HOH436 4.2 34.4 1.0 H A:MET196 4.2 34.5 1.0 CA A:THR195 4.2 31.3 1.0 O A:SER14 4.2 35.1 1.0 HD2 A:TYR16 4.3 39.5 1.0 NE1 A:TRP255 4.4 38.8 1.0 OG1 A:THR195 4.4 30.6 1.0 CB A:MET196 4.5 32.9 1.0 HA A:THR195 4.5 37.5 1.0 CD2 A:TYR16 4.5 32.9 1.0 OH A:TYR16 4.5 33.6 1.0 CD2 A:TYR199 4.5 44.5 1.0 C16 A:5XN301 4.5 42.0 1.0 CE2 A:TRP255 4.6 35.0 1.0 CZ A:TYR16 4.6 32.9 1.0 HD2 A:TYR199 4.6 53.4 1.0 CD1 A:TYR199 4.6 43.8 1.0 HG1 A:THR195 4.6 36.8 1.0 HG3 A:MET196 4.7 44.6 1.0 HD1 A:TYR199 4.7 52.5 1.0 H A:TYR199 4.8 45.4 1.0 H17 A:5XN301 4.9 55.5 1.0 C A:MET196 4.9 31.2 1.0

Chlorine binding site 2 out of 13 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:58.3 occ:1.00 HG1 A:THR5 2.9 57.5 1.0 H A:THR5 2.9 55.3 1.0 HB A:THR5 3.4 49.4 1.0 HB2 A:LYS4 3.5 63.4 1.0 OG1 A:THR5 3.6 47.9 1.0 N A:THR5 3.8 46.1 1.0 CB A:THR5 3.9 41.2 1.0 HA A:LYS4 4.2 59.3 1.0 CB A:LYS4 4.3 52.9 1.0 CA A:THR5 4.5 40.5 1.0 CA A:LYS4 4.6 49.4 1.0 HB3 A:LYS4 4.7 63.4 1.0 C A:LYS4 4.7 49.4 1.0

Chlorine binding site 3 out of 13 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:65.6 occ:1.00 H A:SER108 2.7 30.7 1.0 HG3 A:MET107 3.3 47.0 1.0 HA A:MET107 3.3 31.7 1.0 O A:HOH470 3.4 41.6 1.0 HB2 A:SER108 3.5 29.8 1.0 N A:SER108 3.5 25.6 1.0 CG A:MET107 4.1 39.1 1.0 HG2 A:MET107 4.1 47.0 1.0 CA A:MET107 4.1 26.4 1.0 CB A:SER108 4.1 24.8 1.0 OG A:SER108 4.2 34.6 1.0 C A:MET107 4.3 25.6 1.0 CA A:SER108 4.4 32.4 1.0 HG A:SER108 4.4 41.5 1.0 O A:SER108 4.5 33.6 1.0 CB A:MET107 4.7 30.4 1.0 C A:SER108 4.9 32.5 1.0 HB2 A:MET107 5.0 36.4 1.0

Chlorine binding site 4 out of 13 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:39.4 occ:1.00 CL1 B:5XN301 0.0 39.4 1.0 C13 B:5XN301 1.7 32.6 1.0 C12 B:5XN301 2.7 34.9 1.0 C14 B:5XN301 2.7 27.3 1.0 HE2 B:TYR16 2.8 29.9 1.0 H12 B:5XN301 2.9 41.9 1.0 H14 B:5XN301 2.9 32.8 1.0 HA B:MET196 2.9 25.4 1.0 HB B:THR195 3.0 26.4 1.0 HZ2 B:TRP255 3.2 35.4 1.0 HB2 B:TYR199 3.3 36.5 1.0 O B:THR195 3.4 21.6 1.0 HD2 B:PRO15 3.4 35.9 1.0 C B:THR195 3.4 19.9 1.0 N B:MET196 3.5 21.6 1.0 HB3 B:TYR199 3.6 36.5 1.0 CA B:MET196 3.6 21.1 1.0 CE2 B:TYR16 3.7 24.9 1.0 CB B:THR195 3.8 22.0 1.0 CB B:TYR199 3.9 30.5 1.0 HB2 B:MET196 3.9 28.8 1.0 HD3 B:PRO15 3.9 35.9 1.0 O B:HOH437 4.0 26.9 1.0 HE1 B:TRP255 4.0 42.9 1.0 H B:MET196 4.0 25.9 1.0 C17 B:5XN301 4.0 35.2 1.0 C15 B:5XN301 4.0 32.1 1.0 CZ2 B:TRP255 4.1 29.5 1.0 CD B:PRO15 4.1 29.9 1.0 OG1 B:THR195 4.2 28.1 1.0 CA B:THR195 4.2 21.1 1.0 HD2 B:TYR16 4.3 32.0 1.0 CG B:TYR199 4.3 27.0 1.0 HG1 B:THR195 4.3 33.7 1.0 CB B:MET196 4.3 24.0 1.0 O B:SER14 4.4 30.7 1.0 CD2 B:TYR16 4.4 26.7 1.0 OH B:TYR16 4.5 34.5 1.0 HA B:THR195 4.5 25.4 1.0 CZ B:TYR16 4.5 27.0 1.0 C16 B:5XN301 4.5 33.9 1.0 NE1 B:TRP255 4.5 35.7 1.0 HG3 B:MET196 4.6 33.6 1.0 CE2 B:TRP255 4.7 37.0 1.0 H B:TYR199 4.8 27.9 1.0 CD1 B:TYR199 4.8 29.4 1.0 HD1 B:TYR199 4.8 35.3 1.0 C B:MET196 4.8 20.8 1.0 CD2 B:TYR199 4.9 31.6 1.0 H17 B:5XN301 4.9 42.2 1.0 HD2 B:TYR199 4.9 38.0 1.0

Chlorine binding site 5 out of 13 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl309 b:53.7 occ:1.00 HB2 B:LYS218 2.7 35.4 1.0 HB B:ILE92 2.7 25.8 1.0 H B:GLY219 2.7 26.4 1.0 HB3 B:LYS218 3.1 35.4 1.0 HA B:LYS218 3.2 32.7 1.0 CB B:LYS218 3.2 29.5 1.0 O B:ILE92 3.4 23.0 1.0 N B:GLY219 3.4 22.0 1.0 CA B:LYS218 3.6 27.2 1.0 CB B:ILE92 3.6 21.5 1.0 HG22 B:ILE92 3.7 30.0 1.0 O C:HOH509 3.9 36.2 1.0 HG21 B:ILE92 3.9 30.0 1.0 HD22 C:LEU239 3.9 32.1 1.0 C B:LYS218 4.0 19.7 1.0 CG2 B:ILE92 4.0 25.0 1.0 HD12 B:ILE92 4.0 25.4 1.0 HD22 C:ASN242 4.1 44.4 1.0 C B:ILE92 4.1 19.5 1.0 O B:GLY219 4.2 17.1 1.0 CA B:ILE92 4.3 19.5 1.0 H B:ILE92 4.3 23.9 1.0 HD23 C:LEU239 4.4 32.1 1.0 HD21 C:ASN242 4.4 44.4 1.0 HD21 C:LEU239 4.5 32.1 1.0 CA B:GLY219 4.5 22.1 1.0 CD2 C:LEU239 4.5 26.8 1.0 HA3 B:GLY219 4.5 26.5 1.0 ND2 C:ASN242 4.6 37.0 1.0 CD1 B:ILE92 4.6 21.1 1.0 HD13 B:ILE92 4.6 25.4 1.0 CG B:LYS218 4.6 30.0 1.0 CG1 B:ILE92 4.6 20.2 1.0 HD2 B:LYS218 4.6 38.2 1.0 HG2 C:LYS104 4.7 31.0 1.0 N B:ILE92 4.7 19.9 1.0 C B:GLY219 4.8 18.9 1.0 HG3 B:LYS218 4.9 36.0 1.0 HA B:THR93 4.9 25.4 1.0 HG23 B:ILE92 4.9 30.0 1.0 HG13 B:ILE92 4.9 24.3 1.0 N B:LYS218 5.0 21.9 1.0

Chlorine binding site 6 out of 13 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl310 b:55.3 occ:1.00 H B:SER168 2.4 27.0 1.0 N B:SER168 3.2 22.5 1.0 HB3 B:SER168 3.2 27.2 1.0 HA B:PRO167 3.4 30.2 1.0 HB2 B:SER168 3.4 27.2 1.0 CB B:SER168 3.7 22.7 1.0 HB2 B:PRO167 3.7 24.1 1.0 O B:HOH435 3.8 34.7 1.0 HB3 B:PRO167 3.9 24.1 1.0 CA B:PRO167 4.0 25.2 1.0 CB B:PRO167 4.0 20.1 1.0 CA B:SER168 4.1 20.4 1.0 C B:PRO167 4.1 23.2 1.0 H11 B:EDO313 4.5 46.5 1.0 HA B:SER168 4.7 24.4 1.0 HO1 B:EDO313 4.8 52.6 1.0

Chlorine binding site 7 out of 13 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl311 b:58.1 occ:1.00 H B:TYR51 2.8 31.0 1.0 HA B:LYS50 3.4 48.7 1.0 O B:HOH511 3.5 33.4 1.0 HE1 B:TYR51 3.5 31.2 1.0 CE1 B:TYR51 3.5 26.0 1.0 CD1 B:TYR51 3.6 27.3 1.0 HD1 B:TYR51 3.6 32.8 1.0 N B:TYR51 3.6 25.8 1.0 HB3 B:LYS50 3.6 50.9 1.0 O B:TYR51 3.7 24.0 1.0 HD22 B:ASN29 3.8 36.2 1.0 HE2 B:LYS50 3.8 87.4 1.0 HE3 B:LYS50 3.8 87.4 1.0 CA B:LYS50 4.1 40.6 1.0 HD21 B:ASN29 4.1 36.2 1.0 HG2 B:LYS50 4.2 61.1 1.0 CZ B:TYR51 4.2 25.5 1.0 CB B:LYS50 4.2 42.4 1.0 ND2 B:ASN29 4.3 30.2 1.0 CE B:LYS50 4.3 72.8 1.0 CG B:TYR51 4.3 25.5 1.0 C B:LYS50 4.4 28.5 1.0 C B:TYR51 4.5 28.2 1.0 CA B:TYR51 4.6 29.6 1.0 CG B:LYS50 4.7 50.9 1.0 CE2 B:TYR51 4.8 26.2 1.0 OH B:TYR51 4.8 29.9 1.0 CD2 B:TYR51 4.8 22.9 1.0

Chlorine binding site 8 out of 13 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:38.5 occ:1.00 CL1 C:5XN301 0.0 38.5 1.0 C13 C:5XN301 1.7 31.8 1.0 C12 C:5XN301 2.7 32.1 1.0 HZ3 C:TRP255 2.7 63.4 0.4 C14 C:5XN301 2.7 26.9 1.0 HA C:MET196 2.8 26.8 1.0 H12 C:5XN301 2.9 38.6 1.0 H14 C:5XN301 2.9 32.2 1.0 HE2 C:TYR16 2.9 33.8 1.0 HB C:THR195 3.1 32.4 1.0 HB2 C:TYR199 3.1 32.2 1.0 HE1 C:TRP255 3.2 65.2 0.6 HD2 C:PRO15 3.3 29.4 1.0 C C:THR195 3.5 21.8 1.0 O C:THR195 3.5 23.8 1.0 N C:MET196 3.5 20.7 1.0 CZ3 C:TRP255 3.5 52.8 0.4 HB3 C:TYR199 3.6 32.2 1.0 CA C:MET196 3.6 22.4 1.0 HD3 C:PRO15 3.6 29.4 1.0 HZ2 C:TRP255 3.6 62.3 0.6 CE2 C:TYR16 3.7 28.2 1.0 CB C:TYR199 3.7 26.8 1.0 HB2 C:MET196 3.8 30.1 1.0 NE1 C:TRP255 3.8 54.3 0.6 CD C:PRO15 3.9 24.5 1.0 H C:MET196 3.9 24.9 1.0 HH2 C:TRP255 3.9 61.5 0.4 CB C:THR195 4.0 27.0 1.0 C17 C:5XN301 4.0 36.6 1.0 C15 C:5XN301 4.0 32.8 1.0 CG C:TYR199 4.1 26.1 1.0 CH2 C:TRP255 4.2 51.2 0.4 CZ2 C:TRP255 4.2 51.9 0.6 CB C:MET196 4.2 25.1 1.0 HD2 C:TYR16 4.3 32.2 1.0 CA C:THR195 4.3 20.7 1.0 HD1 C:TYR199 4.3 41.9 1.0 CE2 C:TRP255 4.3 54.3 0.6 CD1 C:TYR199 4.4 35.0 1.0 OG1 C:THR195 4.4 26.0 1.0 CD2 C:TYR16 4.5 26.9 1.0 OH C:TYR16 4.5 38.6 1.0 CE3 C:TRP255 4.5 53.1 0.4 O C:SER14 4.5 23.4 1.0 HE3 C:TRP255 4.5 63.8 0.4 HG3 C:MET196 4.5 30.4 1.0 HG1 C:THR195 4.5 31.2 1.0 C16 C:5XN301 4.5 37.3 1.0 CZ C:TYR16 4.6 26.2 1.0 HA C:THR195 4.6 24.8 1.0 CD2 C:TYR199 4.7 26.3 1.0 H C:TYR199 4.7 28.7 1.0 HG3 C:PRO15 4.8 30.9 1.0 C C:MET196 4.8 19.4 1.0 CG C:PRO15 4.8 25.8 1.0 H17 C:5XN301 4.9 43.9 1.0 HG2 C:PRO15 4.9 30.9 1.0 HD2 C:TYR199 4.9 31.5 1.0 CD1 C:TRP255 4.9 51.9 0.6 CG C:MET196 5.0 25.3 1.0

Chlorine binding site 9 out of 13 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl306 b:58.1 occ:1.00 H C:SER108 2.7 30.0 1.0 HA C:MET107 3.3 28.3 1.0 HG3 C:MET107 3.3 46.2 1.0 HB2 C:SER108 3.4 32.2 1.0 N C:SER108 3.5 25.0 1.0 HG2 C:MET107 3.9 46.2 1.0 CG C:MET107 4.0 38.5 1.0 O C:HOH498 4.1 37.4 1.0 CA C:MET107 4.1 23.6 1.0 CB C:SER108 4.1 26.8 1.0 OG C:SER108 4.2 37.5 1.0 C C:MET107 4.3 24.1 1.0 CA C:SER108 4.4 26.8 1.0 O C:SER108 4.6 30.5 1.0 CB C:MET107 4.7 29.3 1.0 HD2 C:LYS251 4.7 56.9 1.0 HG C:SER108 4.9 45.0 1.0 C C:SER108 5.0 28.2 1.0 HB3 C:SER108 5.0 32.2 1.0

Chlorine binding site 10 out of 13 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with (S)-2-Amino-3-(5-(2-(3-Chlorobenzyl)-2H-Tetrazol-5-Yl)- 3-Hydroxyisoxazol-4-Yl)Propanoic Acid at 2.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:49.0 occ:1.00 CL1 D:5XN301 0.0 49.0 1.0 C13 D:5XN301 1.7 35.9 1.0 C12 D:5XN301 2.7 40.4 1.0 C14 D:5XN301 2.7 36.8 1.0 HA D:MET196 2.8 34.2 1.0 H12 D:5XN301 2.9 48.4 1.0 H14 D:5XN301 2.9 44.1 1.0 HE2 D:TYR16 2.9 39.7 1.0 HZ2 D:TRP255 3.1 54.8 1.0 HB D:THR195 3.3 39.7 1.0 HB2 D:TYR199 3.3 40.6 1.0 HD2 D:PRO15 3.4 44.3 1.0 O D:THR195 3.5 27.4 1.0 C D:THR195 3.6 25.1 1.0 CA D:MET196 3.6 28.5 1.0 HB3 D:TYR199 3.7 40.6 1.0 N D:MET196 3.7 28.7 1.0 HE1 D:TRP255 3.7 60.0 1.0 CE2 D:TYR16 3.7 33.1 1.0 HB2 D:MET196 3.8 35.1 1.0 CB D:TYR199 3.8 33.8 1.0 HD3 D:PRO15 3.9 44.3 1.0 CZ2 D:TRP255 4.0 45.7 1.0 C17 D:5XN301 4.0 45.2 1.0 C15 D:5XN301 4.0 34.3 1.0 CD D:PRO15 4.1 36.9 1.0 CB D:THR195 4.1 33.1 1.0 CG D:TYR199 4.1 34.1 1.0 H D:MET196 4.1 34.4 1.0 CB D:MET196 4.2 29.3 1.0 NE1 D:TRP255 4.3 50.0 1.0 OH D:TYR16 4.3 40.2 1.0 HG3 D:MET196 4.4 38.2 1.0 HD2 D:TYR16 4.4 42.2 1.0 CA D:THR195 4.4 27.9 1.0 HD1 D:TYR199 4.5 50.7 1.0 CD1 D:TYR199 4.5 42.3 1.0 CZ D:TYR16 4.5 36.0 1.0 CE2 D:TRP255 4.5 50.2 1.0 OG1 D:THR195 4.5 32.6 1.0 CD2 D:TYR16 4.5 35.2 1.0 C16 D:5XN301 4.5 41.3 1.0 O D:SER14 4.6 37.4 1.0 HG1 D:THR195 4.7 39.2 1.0 CD2 D:TYR199 4.7 36.7 1.0 HA D:THR195 4.7 33.5 1.0 C D:MET196 4.8 27.8 1.0 H D:TYR199 4.9 42.0 1.0 HD2 D:TYR199 4.9 44.0 1.0 H17 D:5XN301 4.9 54.2 1.0 CG D:MET196 4.9 31.9 1.0

S.Y.Wang, Y.Larsen, C.V.Navarrete, A.A.Jensen, B.Nielsen, A.Al-Musaed, K.Frydenvang, J.S.Kastrup, D.S.Pickering, R.P.Clausen. Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-Hydroxy-5-Methyl-Isoxazol-4-Yl)Propionic Acid (Ampa) Receptors in A Small Series of Bntetampa Analogues. J.Med.Chem. V. 59 2244 2016.
ISSN: ISSN 0022-2623
PubMed: 26862980
DOI: 10.1021/ACS.JMEDCHEM.5B01982