Research workbench
A mutant human prolactin receptor antagonist H180A in complex with the extracellular domain of the human prolactin receptor
Analyse A mutant human prolactin receptor antagonist H180A in complex with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NCB
- Type
- protein
- Length
- 392 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prolactin; Prolactin receptor
- UniProt
- P01236, P16471
- Ligands
- NA, CO3, CL
- Pockets
- 6 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prolactin | protein | 186 | 73% helix, 0% strand | P01236 |
| B | Prolactin receptor | protein | 206 | 3% helix, 45% strand | P16471 |
Ligands and binding sites
- NA · Sodium ion · metal · 3 copies · chains B, A
- CO3 · Carbonate ion · ion · chains A
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 254 | 0.56 | 0.78 | 40 | empty |
| 2 | 50 | 0.54 | 0.88 | 15 | empty |
| 3 | 113 | 0.44 | 0.78 | 20 | empty |
| 4 | 126 | 0.44 | 0.77 | 21 | empty |
| 5 | 75 | 0.37 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1232 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3NCB · A mutant human Prolactin receptor antagonist H180A in complex with the extracellular… · the same entry in another collection · chain A against A, TM-score 1.00
- P16471 · AlphaFold monomer V2.0 prediction for prolactin receptor (P16471) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P01236 · AlphaFold monomer V2.0 prediction for prolactin (P01236) · a predicted model of the same protein · chain A 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 3NCB · PDBe 3NCB · UniProt P01236 · UniProt P16471
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