Research workbench
Crystal structure of MGLUR5 in complex with fenobam at 2.65 a
Analyse Crystal structure of MGLUR5 in complex with fenobam at 2.65 a in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6FFH
- Type
- protein
- Length
- 414 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metabotropic glutamate receptor 5,ENDOLYSIN
- EC
- 3.2.1.17
- UniProt
- P41594, P00720
- Ligands
- OLA, D7W
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metabotropic glutamate receptor 5,ENDOLYSIN (EC 3.2.1.17) | protein | 414 | 72% helix, 5% strand | P41594, P00720 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 5 copies · chains A
- D7W · 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea · ligand · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.78 | 0.90 | 42 | D7W |
| 2 | 504 | 0.68 | 0.79 | 49 | empty |
Modifications
Observed in the structure: 1 disulfide, 1 modified (disulfide, alkylation).
Compared structures
- 6FFH · Crystal Structure of mGluR5 in complex with Fenobam at 2.65 A · the same entry in another collection · chain A against A, TM-score 1.00
- P41594 · AlphaFold monomer V2.0 prediction for metabotropic glutamate receptor 5 (P41594) · a predicted model of the same protein · chain A against A, TM-score 0.58
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P41594
- Every structure of UniProt P00720
- Elsewhere: RCSB PDB 6FFH · PDBe 6FFH · UniProt P41594 · UniProt P00720
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