Chlorine in PDB 6ffh: Crystal Structure of MGLUR5 in Complex with Fenobam at 2.65 A

All present enzymatic activity of Crystal Structure of MGLUR5 in Complex with Fenobam at 2.65 A:
3.2.1.17;

The structure of Crystal Structure of MGLUR5 in Complex with Fenobam at 2.65 A, PDB code: 6ffh was solved by J.A.Christopher, Z.Orgovan, M.Congreve, A.S.Dore, J.C.Errey, F.H.Marshall, J.S.Mason, K.Okrasa, P.Rucktooa, M.J.Serrano-Vega, G.G.Ferenczy, G.M.Keseru, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.50 / 2.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	143.217, 43.478, 82.383, 90.00, 99.22, 90.00
R / Rfree (%)	24.4 / 26.7

The binding sites of Chlorine atom in the Crystal Structure of MGLUR5 in Complex with Fenobam at 2.65 A (pdb code 6ffh). 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 MGLUR5 in Complex with Fenobam at 2.65 A, PDB code: 6ffh:

Chlorine binding site 1 out of 1 in the Crystal Structure of MGLUR5 in Complex with Fenobam at 2.65 A


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 MGLUR5 in Complex with Fenobam at 2.65 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4006 b:54.4 occ:1.00 CL1 A:D7W4006 0.0 54.4 1.0 C14 A:D7W4006 1.8 53.0 1.0 C15 A:D7W4006 2.8 53.1 1.0 C13 A:D7W4006 2.8 52.0 1.0 O A:HOH4103 3.3 21.8 1.0 O A:SER1809 3.3 32.9 1.0 OH A:TYR659 3.4 37.0 1.0 CZ A:TYR659 3.6 36.2 1.0 CE1 A:TYR659 3.7 35.8 1.0 CB A:ALA1813 3.8 32.7 1.0 OG A:SER1809 3.9 31.6 1.0 C A:SER1809 3.9 32.8 1.0 CA A:ALA1810 4.0 33.5 1.0 C16 A:D7W4006 4.1 52.8 1.0 C12 A:D7W4006 4.1 51.6 1.0 CB A:SER658 4.2 31.0 1.0 N A:ALA1810 4.2 33.0 1.0 OG A:SER658 4.4 31.3 1.0 CE2 A:TYR659 4.5 35.8 1.0 CD1 A:TYR659 4.6 35.3 1.0 C17 A:D7W4006 4.6 52.0 1.0 CG1 A:ILE625 4.7 34.9 1.0 CB A:ALA1810 4.9 32.5 1.0 CB A:SER1809 4.9 31.6 1.0 C A:ALA1810 4.9 34.9 1.0 O A:ALA1810 4.9 35.6 1.0 CA A:SER1809 5.0 32.4 1.0

J.A.Christopher, Z.Orgovan, M.Congreve, A.S.Dore, J.C.Errey, F.H.Marshall, J.S.Mason, K.Okrasa, P.Rucktooa, M.J.Serrano-Vega, G.G.Ferenczy, G.M.Keseru. Structure-Based Optimization Strategies For G Protein-Coupled Receptor (Gpcr) Allosteric Modulators: A Case Study From Analyses of New Metabotropic Glutamate Receptor 5 (MGLU5) X-Ray Structures. J.Med.Chem. V. 62 207 2019.
ISSN: ISSN 0022-2623
PubMed: 29455526
DOI: 10.1021/ACS.JMEDCHEM.7B01722