Research workbench
Substrate induced remodeling of the active site regulates HTRA1 activity
Analyse Substrate induced remodeling of the active site regulates HTRA1 activity in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NWU
- Type
- protein
- Length
- 556 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine protease HTRA1
- EC
- 3.4.21.-
- UniProt
- Q92743
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 13% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine protease HTRA1 (EC 3.4.21.-) | protein | 190 | 13% helix, 45% strand | Q92743 |
| B | Serine protease HTRA1 (EC 3.4.21.-) | protein | 183 | 13% helix, 44% strand | Q92743 |
| C | Serine protease HTRA1 (EC 3.4.21.-) | protein | 183 | 13% helix, 45% strand | Q92743 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 287 | 0.69 | 0.84 | 41 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1035 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1005 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 991 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3NWU · Substrate induced remodeling of the active site regulates HtrA1 activity · the same entry in another collection · chain A against A, TM-score 1.00
- Q92743 · AlphaFold monomer V2.0 prediction for serine protease HTRA1 (Q92743) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 Q92743
- Elsewhere: RCSB PDB 3NWU · PDBe 3NWU · UniProt Q92743
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