Chlorine in PDB 3gba: X-Ray Structure of IGLUR5 Ligand-Binding Core (S1S2) in Complex with Dysiherbaine at 1.35A Resolution

The structure of X-Ray Structure of IGLUR5 Ligand-Binding Core (S1S2) in Complex with Dysiherbaine at 1.35A Resolution, PDB code: 3gba was solved by K.Frydenvang, P.Naur, M.Gajhede, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	89.80 / 1.35
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.872, 66.902, 90.342, 92.69, 94.66, 100.82
R / Rfree (%)	16.5 / 19.3

The binding sites of Chlorine atom in the X-Ray Structure of IGLUR5 Ligand-Binding Core (S1S2) in Complex with Dysiherbaine at 1.35A Resolution (pdb code 3gba). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of IGLUR5 Ligand-Binding Core (S1S2) in Complex with Dysiherbaine at 1.35A Resolution, PDB code: 3gba:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of IGLUR5 Ligand-Binding Core (S1S2) in Complex with Dysiherbaine at 1.35A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of IGLUR5 Ligand-Binding Core (S1S2) in Complex with Dysiherbaine at 1.35A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl261 b:51.2 occ:1.00 O A:HOH394 2.9 17.4 1.0 ND2 A:ASN201 3.1 7.5 1.0 O A:HOH1153 3.7 37.3 1.0 CG2 A:VAL197 4.1 8.0 1.0 CA A:VAL197 4.1 6.3 1.0 CB A:ARG200 4.1 10.8 1.0 CG1 A:VAL197 4.2 7.3 1.0 CE2 A:TYR196 4.2 9.2 1.0 O A:HOH933 4.3 37.6 1.0 O C:HOH833 4.3 32.1 1.0 OE1 A:GLU14 4.3 18.5 1.0 CB A:VAL197 4.3 6.7 1.0 CG A:ASN201 4.3 7.5 1.0 CD A:ARG200 4.5 15.5 1.0 O A:VAL197 4.5 6.8 1.0 CD2 A:TYR196 4.6 8.0 1.0 O A:HOH346 4.6 18.6 1.0 CG2 A:ILE177 4.7 11.8 1.0 OD1 A:ASN201 4.8 7.3 1.0 C A:VAL197 4.8 6.4 1.0 CG A:ARG200 4.8 13.4 1.0 CD1 A:ILE177 4.9 12.8 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of IGLUR5 Ligand-Binding Core (S1S2) in Complex with Dysiherbaine at 1.35A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of IGLUR5 Ligand-Binding Core (S1S2) in Complex with Dysiherbaine at 1.35A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl261 b:56.8 occ:1.00 O B:HOH403 2.9 18.4 1.0 ND2 B:ASN201 3.2 8.8 1.0 NE B:ARG200 3.5 19.5 1.0 CG2 B:VAL197 3.9 8.0 1.0 CA B:VAL197 4.0 6.4 1.0 CG1 B:VAL197 4.0 8.3 1.0 CB B:VAL197 4.2 6.9 1.0 O B:HOH922 4.2 34.7 1.0 CB B:ARG200 4.2 10.6 1.0 NH2 B:ARG200 4.3 23.6 1.0 CD B:ARG200 4.3 15.9 1.0 CE2 B:TYR196 4.4 9.0 1.0 CZ B:ARG200 4.4 22.1 1.0 O B:VAL197 4.4 6.6 1.0 CG B:ASN201 4.4 7.1 1.0 OE1 B:GLU14 4.5 17.9 1.0 CG2 B:ILE177 4.5 12.2 1.0 CD1 B:ILE177 4.6 12.1 1.0 CD2 B:TYR196 4.6 8.3 1.0 O B:HOH1072 4.7 31.2 1.0 C B:VAL197 4.7 6.4 1.0 O B:HOH1137 4.7 36.7 1.0 CG B:ARG200 4.9 12.9 1.0 OD1 B:ASN201 4.9 8.2 1.0 N B:VAL197 5.0 5.5 1.0

K.Frydenvang, L.L.Lash, P.Naur, P.A.Postila, D.S.Pickering, C.M.Smith, M.Gajhede, M.Sasaki, R.Sakai, O.T.Pentikainen, G.T.Swanson, J.S.Kastrup. Full Domain Closure of the Ligand-Binding Core of the Ionotropic Glutamate Receptor IGLUR5 Induced By the High Affinity Agonist Dysiherbaine and the Functional Antagonist 8,9-Dideoxyneodysiherbaine J.Biol.Chem. V. 284 14219 2009.
ISSN: ISSN 0021-9258
PubMed: 19297335
DOI: 10.1074/JBC.M808547200