5CGC
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5 | polymer | 444 | 49802.5 | 1 | UniProt (P41594) UniProt (P00720) Pfam (PF00003) Pfam (PF00959) | Homo sapiens (Human) | mGluR5,Lysis protein,Lysozyme,Muramidase,mGluR5 |
| 2 | B, C, D, E (A) | OLEIC ACID | non-polymer | 282.5 | 4 | Chemie (OLA) | |||
| 3 | F (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 4 | G (A) | 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile | non-polymer | 299.7 | 1 | Chemie (51D) | |||
| 5 | H (A) | water | water | 18.0 | 60 | Chemie (HOH) |
Sequence modifications
A: 569 - 678 (UniProt: P41594)
A: 1002 - 1161 (UniProt: P00720)
A: 679 - 836 (UniProt: P41594)
| PDB | External Database | Details |
|---|---|---|
| Ala 566 | - | expression tag |
| Ala 567 | - | expression tag |
| Ser 568 | - | expression tag |
| Ala 579 | Glu 579 | engineered mutation |
| Tyr 667 | Asn 667 | engineered mutation |
| Ala 669 | Ile 669 | engineered mutation |
| Met 675 | Gly 675 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly 1012 | Arg 12 | engineered mutation |
| Thr 1054 | Cys 54 | engineered mutation |
| Ala 1097 | Cys 97 | engineered mutation |
| Arg 1137 | Ile 137 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ala 742 | Thr 742 | engineered mutation |
| Ala 753 | Ser 753 | engineered mutation |
| Ala 837 | - | expression tag |
| Ala 838 | - | expression tag |
| Ala 839 | - | expression tag |
| His 840 | - | expression tag |
| His 841 | - | expression tag |
| His 842 | - | expression tag |
| His 843 | - | expression tag |
| His 844 | - | expression tag |
| His 845 | - | expression tag |
| His 846 | - | expression tag |
| His 847 | - | expression tag |
| His 848 | - | expression tag |
| His 849 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49802.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1624.8 | |
| All* | Total formula weight | 51427.3 |
