MolNFT v1 · #171319 · protein
HTRA1 inactive protease domain S328A with carasil mutations D174R R274Q
6Z0X · Serine protease HTRA1: “HTRA1 inactive protease domain S328A with carasil mutations D174R R274Q”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.56). MolNFT v1 #171319 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6Z0X
- Type
- protein
- Length
- 600 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
- 5 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 16% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine protease HTRA1 (EC 3.4.21.-) | protein | 203 | 15% helix, 40% strand | Q92743 |
| B | Serine protease HTRA1 (EC 3.4.21.-) | protein | 197 | 16% helix, 37% strand | Q92743 |
| C | Serine protease HTRA1 (EC 3.4.21.-) | protein | 200 | 18% helix, 38% strand | Q92743 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 181 | 0.56 | 0.80 | 40 | SO4 |
| 2 | 252 | 0.53 | 0.76 | 29 | empty |
| 3 | 200 | 0.50 | 0.76 | 29 | SO4 |
| 4 | 69 | 0.38 | 0.78 | 15 | empty |
| 5 | 59 | 0.30 | 0.75 | 15 | SO4 |
Interfaces
3 interfaces between chains.
- A–C · 617 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 327 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 263 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6Z0X · HtrA1 inactive protease domain S328A with CARASIL mutations D174R R274Q · 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 B against A, TM-score 0.96
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 6Z0X · PDBe 6Z0X · UniProt Q92743
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