MolNFT v1 · #171320 · protein
HTRA1 inactive protease domain S328A with carasil mutations D174R R274Q
6Z0Y · Serine protease HTRA1: “HTRA1 inactive protease domain S328A with carasil mutations D174R R274Q”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.67). MolNFT v1 #171320 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6Z0Y
- Type
- protein
- Length
- 594 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
- 4 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 14% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine protease HTRA1 (EC 3.4.21.-) | protein | 200 | 14% helix, 38% strand | Q92743 |
| B | Serine protease HTRA1 (EC 3.4.21.-) | protein | 197 | 15% helix, 34% strand | Q92743 |
| C | Serine protease HTRA1 (EC 3.4.21.-) | protein | 197 | 12% helix, 41% strand | Q92743 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C
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 | 465 | 0.67 | 0.79 | 65 | empty |
| 2 | 305 | 0.57 | 0.76 | 40 | empty |
| 3 | 68 | 0.38 | 0.78 | 16 | empty |
| 4 | 51 | 0.27 | 0.75 | 12 | SO4 |
Interfaces
3 interfaces between chains.
- A–C · 500 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 323 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 271 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6Z0Y · 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 0.97
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 6Z0Y · PDBe 6Z0Y · UniProt Q92743
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