7WV9
Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Guanine nucleotide-binding protein G(i) subunit alpha-2 | polymer | 355 | 40502.9 | 1 | UniProt (P04899) Pfam (PF00503) In PDB | Homo sapiens (human) | Adenylate cyclase-inhibiting G alpha protein |
| 2 | B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | polymer | 359 | 39734.4 | 1 | UniProt (P62873) Pfam (PF00400) In PDB | Homo sapiens (human) | Transducin beta chain 1 |
| 3 | C | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | polymer | 71 | 7861.1 | 1 | UniProt (P59768) Pfam (PF00631) In PDB | Homo sapiens (human) | G gamma-I |
| 4 | R | Cannabinoid receptor 1 | polymer | 472 | 52914.8 | 1 | UniProt (P21554) Pfam (PF00001) In PDB | Homo sapiens (human) | CB-R,CB1,CANN6 |
| 5 | S | ScFv16 | polymer | 266 | 28636.8 | 1 | Mus musculus (mouse) | ||
| 6 | R | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol | non-polymer | 376.6 | 1 | Chemie (9GF) | |||
| 7 | R | 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole | non-polymer | 362.4 | 1 | Chemie (7IC) |
Sequence modifications
A: 1 - 355 (UniProt: P04899)
B: 2 - 340 (UniProt: P62873)
| PDB | External Database | Details |
|---|---|---|
| Asn 47 | Ser 47 | engineered mutation |
| Ala 204 | Gly 204 | engineered mutation |
| Ala 246 | Glu 246 | engineered mutation |
| Ser 327 | Ala 327 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Met -18 | - | initiating methionine |
| His -17 | - | expression tag |
| His -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| Glu -10 | - | expression tag |
| Asn -9 | - | expression tag |
| Leu -8 | - | expression tag |
| Tyr -7 | - | expression tag |
| Phe -6 | - | expression tag |
| Gln -5 | - | expression tag |
| Gly -4 | - | expression tag |
| Gly -3 | - | expression tag |
| Ser -2 | - | expression tag |
| Leu -1 | - | expression tag |
| Leu 0 | - | expression tag |
| Gln 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 169650.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 739.0 | |
| All* | Total formula weight | 170389.0 |
