MolNFT v1 · #189171 · protein
The crystal structure of kfdv NS3H bound with pi
7V4R · Serine protease NS3: “The crystal structure of kfdv NS3H bound with pi”. X-ray diffraction, 2 ligands (NI, PO4), 4 pockets (best druggability 0.79). MolNFT v1 #189171 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7V4R
- Type
- protein
- Length
- 437 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine protease NS3
- EC
- 3.4.21.91, 3.6.1.15, 3.6.4.13
- UniProt
- D7RF80
- Ligands
- NI, PO4
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine protease NS3 (EC 3.4.21.91, 3.6.1.15, 3.6.4.13) | protein | 437 | 35% helix, 17% strand | D7RF80 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 670 | 0.79 | 0.84 | 51 | empty |
| 2 | 119 | 0.59 | 0.85 | 23 | empty |
| 3 | 113 | 0.59 | 0.86 | 24 | NI, PO4 |
| 4 | 98 | 0.45 | 0.80 | 21 | empty |
Compared structures
- 7V4R · The crystal structure of KFDV NS3H bound with Pi · 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 D7RF80
- Elsewhere: RCSB PDB 7V4R · PDBe 7V4R · UniProt D7RF80
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