MolNFT v1 · #60855 · protein
Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of the prolactin receptor
3D48: “Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of the prolactin…”. X-ray diffraction, 1 ligand (CO3), 5 pockets (best druggability 0.51). MolNFT v1 #60855 on GenesisL1: 3D structure, binding…
- PDB
- 3D48
- Type
- protein
- Length
- 360 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prolactin; Prolactin receptor
- UniProt
- P01236, P16471
- Ligands
- CO3
- Pockets
- 5 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| P | Prolactin | protein | 165 | 76% helix, 0% strand | P01236 |
| R | Prolactin receptor | protein | 195 | 3% helix, 49% strand | P16471 |
Ligands and binding sites
- CO3 · Carbonate ion · ion · 4 copies · chains P, R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 108 | 0.51 | 0.82 | 17 | empty |
| 2 | 96 | 0.37 | 0.75 | 21 | empty |
| 3 | 56 | 0.34 | 0.77 | 14 | CO3 |
| 4 | 51 | 0.32 | 0.77 | 13 | empty |
| 5 | 52 | 0.30 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- P–R · 1219 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3D48 · Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of… · the same entry in another collection · chain P against P, TM-score 1.00
- P16471 · AlphaFold monomer V2.0 prediction for prolactin receptor (P16471) · a predicted model of the same protein · chain R against A, TM-score 0.99
- P01236 · AlphaFold monomer V2.0 prediction for prolactin (P01236) · a predicted model of the same protein · chain P against A, TM-score 0.99
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 P01236
- Every structure of UniProt P16471
- Elsewhere: RCSB PDB 3D48 · PDBe 3D48 · UniProt P01236 · UniProt P16471
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