MolNFT v1 · #128192 · protein
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with FAB3949 and AZ7188 at 4.0 ångström resolution
5NJ6 · Proteinase-activated receptor 2,SOLUBLE cytochrome B562…: “Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with…”. X-ray diffraction, 12 pockets (best druggability 0.80). MolNFT…
- PDB
- 5NJ6
- Type
- protein
- Length
- 833 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proteinase-activated receptor 2,SOLUBLE cytochrome B562, proteinase-activated receptor 2…
- UniProt
- P55085, P0ABE7
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proteinase-activated receptor 2,SOLUBLE cytochrome B562, proteinase-activated receptor 2 | protein | 401 | 78% helix, 2% strand | P55085, P0ABE7 |
| H | FAB3949 H | protein | 219 | 3% helix, 52% strand | — |
| L | FAB3949 L | protein | 213 | 5% helix, 47% strand | — |
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.80 | 0.98 | 25 | empty |
| 2 | 56 | 0.68 | 0.96 | 23 | empty |
| 3 | 196 | 0.65 | 0.85 | 36 | empty |
| 4 | 453 | 0.60 | 0.75 | 58 | empty |
| 5 | 135 | 0.52 | 0.80 | 17 | empty |
Interfaces
3 interfaces between chains.
- H–L · 2006 Ų buried · 17 hydrogen bonds · protein-protein
- A–H · 596 Ų buried · 6 hydrogen bonds · protein-protein
- A–L · 425 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 5NJ6 · Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in… · the same entry in another collection · chain A against A, TM-score 1.00
- P55085 · AlphaFold monomer V2.0 prediction for proteinase-activated receptor 2 (P55085) · a predicted model of the same protein · chain A against A, TM-score 0.73
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.28
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 P55085
- Every structure of UniProt P0ABE7
- Elsewhere: RCSB PDB 5NJ6 · PDBe 5NJ6 · UniProt P55085 · UniProt P0ABE7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.