MolNFT v1 · #48230 · protein
The crystal structure of proprotein convertase subtilisin kexin type 9 (PCSK9)
2PMW · Proprotein convertase SUBTILISIN/KEXIN type 9: “The crystal structure of proprotein convertase subtilisin kexin type 9 (PCSK9)”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.74). MolNFT v1 #48230 on GenesisL1…
- PDB
- 2PMW
- Type
- protein
- Length
- 581 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proprotein convertase SUBTILISIN/KEXIN type 9
- EC
- 3.4.21.-
- UniProt
- Q5SZQ2
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proprotein convertase SUBTILISIN/KEXIN type 9 (EC 3.4.21.-) | protein | 92 | 30% helix, 39% strand | Q5SZQ2 |
| B | Proprotein convertase SUBTILISIN/KEXIN type 9 | protein | 489 | 18% helix, 38% strand | Q5SZQ2 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 654 | 0.74 | 0.81 | 79 | empty |
| 2 | 361 | 0.73 | 0.84 | 48 | empty |
| 3 | 72 | 0.36 | 0.77 | 14 | empty |
| 4 | 51 | 0.28 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1368 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 2PMW · The Crystal Structure of Proprotein convertase subtilisin kexin type 9 (PCSK9) · the same entry in another collection · chain A against A, TM-score 1.00
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 Q5SZQ2
- Elsewhere: RCSB PDB 2PMW · PDBe 2PMW · UniProt Q5SZQ2
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