MolNFT v1 · #105873 · protein
Serine protease HTRA3, mutationally inactivated
4RI0: “Serine protease HTRA3, mutationally inactivated”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.68). MolNFT v1 #105873 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RI0
- Type
- protein
- Length
- 704 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine protease HTRA3
- EC
- 3.4.21.-
- UniProt
- P83110
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 15% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine protease HTRA3 (EC 3.4.21.-) | protein | 306 | 15% helix, 41% strand | P83110 |
| B | Serine protease HTRA3 (EC 3.4.21.-) | protein | 202 | 14% helix, 44% strand | P83110 |
| C | Serine protease HTRA3 (EC 3.4.21.-) | protein | 196 | 16% helix, 40% strand | P83110 |
Ligands and binding sites
- PO4 · Phosphate 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.68 | 0.86 | 36 | empty |
| 2 | 227 | 0.45 | 0.73 | 25 | empty |
| 3 | 56 | 0.30 | 0.75 | 15 | empty |
| 4 | 62 | 0.29 | 0.74 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–C · 930 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 912 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 898 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
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 P83110
- Elsewhere: RCSB PDB 4RI0 · PDBe 4RI0 · UniProt P83110
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