MolNFT v1 · #173269 · protein
Melanocortin receptor 4 (MC4R) gs protein complex
7AUE: “Melanocortin receptor 4 (MC4R) gs protein complex”. Electron microscopy, 2 ligands (CA, NH2), 13 pockets (best druggability 0.82). MolNFT v1 #173269 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AUE
- Type
- protein
- Length
- 1,131 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Melanocortin receptor 4; Guanine nucleotide-binding protein G(I) subunit alpha-1, isoform…
- UniProt
- P32245, A0A3B3ITX3, P63092, P62873, P59768
- Ligands
- CA, NH2
- Pockets
- 13 · best druggability 0.82
Structure
electron microscopy · 6 distinct chains · 29% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| R | Melanocortin receptor 4 | protein | 263 | 72% helix, 0% strand | P32245 |
| A | Guanine nucleotide-binding protein G(I) subunit alpha-1, isoform gnas-2 of guanine nucleotide-binding protein G(S) subunit alpha isoforms short | protein | 233 | 41% helix, 16% strand | A0A3B3ITX3, P63092 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 338 | 4% helix, 45% strand | P62873 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 57 | 40% helix, 0% strand | P59768 |
| S | SCFV16 | protein | 232 | 3% helix, 47% strand | — |
| C | Aminoserine | protein | 8 | 0% helix, 0% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · chains R, C
- NH2 · Amino group · ion · chains R, C
- ACY · Acetic acid · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 875 | 0.82 | 0.84 | 72 | empty |
| 2 | 866 | 0.74 | 0.78 | 94 | empty |
| 3 | 274 | 0.59 | 0.78 | 40 | empty |
| 4 | 229 | 0.55 | 0.78 | 29 | empty |
| 5 | 241 | 0.53 | 0.76 | 28 | empty |
Interfaces
7 interfaces between chains.
- B–G · 2231 Ų buried · 12 hydrogen bonds · protein-protein
- R–A · 1301 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1163 Ų buried · 10 hydrogen bonds · protein-protein
- R–C · 787 Ų buried · 6 hydrogen bonds · protein-protein
- A–S · 589 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 2 d-amino, 1 covalent (disulfide, D-amino acid, additive adduct).
Compared structures
- 7AUE · Melanocortin receptor 4 (MC4R) Gs protein complex · the same entry in another collection · chain C against C, TM-score 1.00
- P62873 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain B against A, TM-score 0.99
- P32245 · AlphaFold monomer V2.0 prediction for melanocortin receptor 4 (P32245) · a predicted model of the same protein · chain R against A, TM-score 0.94
- P59768 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain G against A, TM-score 0.85
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 P32245
- Every structure of UniProt A0A3B3ITX3
- Every structure of UniProt P63092
- Every structure of UniProt P62873
- Every structure of UniProt P59768
- Elsewhere: RCSB PDB 7AUE · PDBe 7AUE · UniProt P32245 · UniProt A0A3B3ITX3 · UniProt P63092 · UniProt P62873 · UniProt P59768
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