6FFH: MGluR5

Crystal Structure of mGluR5 in complex with Fenobam at 2.65 A. Determined by X-ray diffraction at 2.65 Å resolution. Released 7 Mar 2018.

Method: X-ray diffraction
Resolution: 2.65 Å
Organisms: Homo sapiens, Enterobacteria phage T4
Chains: 1
Atoms: 3,371
Mol. weight: 52.09 kDa
Ligands: OLA, D7W, OLC
Released: 7 Mar 2018

Explore 6FFH in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6FFH contains 21 α-helices and 10 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 21 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	569-574	6
α-helix	579-603	25
α-helix	608-612	5
α-helix	615-630	16
α-helix	632-635	4
β-strand	636	1	1
α-helix	641-677	37
α-helix	1003-1010	8
β-strand	1014-1015	2	2
β-strand	1016	1	3
β-strand	1017-1019	3	2
β-strand	1025-1028	4	2
β-strand	1031-1034	4	2
α-helix	1039-1050	12
β-strand	1057	1	3
α-helix	1060-1079	20
α-helix	1085-1090	6
α-helix	1093-1106	14
α-helix	1108-1111	4
α-helix	1115-1122	8
α-helix	1126-1133	8
α-helix	1137-1141	5
α-helix	1143-1155	13
α-helix	1690-1714	25
β-strand	1719	1	4
β-strand	1730	1	1
β-strand	1733	1	4
α-helix	1737-1760	24
α-helix	1766-1793	28
α-helix	1798-1817	20
α-helix	1819-1827	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Metabotropic glutamate receptor 5,Endolysin	A	protein	444	Homo sapiens, Enterobacteria phage T4	P00720, P41594 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6FFH_1 Metabotropic glutamate receptor 5,Endolysin (chains A)
AASPVQYLRWGDPAPIAAVVFACLGLLATLFVTVVFIIYRDTPVVKSSSRELCYIILAGI
CLGYLCTFCLIAKPKQIYCYLQRIGIGLSPAMSYSALVTKTYRAARILAMSKKNIFEMLR
IDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFN
QDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDE
AAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKICTKKPRFMSACAQLVIAFILICIQL
GIIVALFIMEPPDIMHDYPSIREVYLICNTTNLGVVAPLGYNGLLILACTFYAFKTRNVP
ANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYII
LAKPERNVRSAAAAHHHHHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
OLA	Oleic acid	C18 H34 O2	5
D7W	1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea	C11 H11 Cl N4 O2	1
OLC	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	C21 H40 O4	1

Water and common crystallization additives (MES) are not listed.

Primary citation

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. Christopher, J.A., Orgovan, Z., Congreve, M. et al. J Med Chem (2019) 62:207-222. DOI 10.1021/acs.jmedchem.7b01722 · PubMed

Other PDB entries of the same protein (UniProt P00720), best resolution first:

2O7A 0.84 Å, T4 lysozyme C-terminal fragment
5JDT 1.0 Å, Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K
7LOE 1.01 Å, T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene
7LOD 1.02 Å, T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene
7LX8 1.03 Å, T4 lysozyme mutant L99A
5XPF 1.04 Å, High-resolution X-ray structure of the T26H mutant of T4 lysozyme
6BG3 1.05 Å, Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl…
7LOF 1.05 Å, T4 lysozyme mutant L99A in complex with 2-butylthiophene
7LX6 1.05 Å, T4 lysozyme mutant L99A
7LX7 1.05 Å, T4 lysozyme mutant L99A
1SWY 1.06 Å, Use of a Halide Binding Site to Bypass the 1000-atom Limit to Ab initio Structure…
1SWZ 1.06 Å, Use of an ion-binding site to bypass the 1000-atom limit to ab initio structure…

Browse structure collections

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