Research workbench
Structural basis for dual-inhibition mechanism of a non-classical kazal-type serine protease inhibitor from horseshoe crab in complex with subtilisin
Analyse Structural basis for dual-inhibition mechanism of a non-classical kazal-type… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QTL
- Type
- protein
- Length
- 892 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Subtilisin-like serin protease; Kazal-type serine protease inhibitor spi-1
- EC
- 3.4.21.62
- UniProt
- Q1EM64, A1X1V8
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Subtilisin-like serin protease (EC 3.4.21.62) | protein | 269 | 30% helix, 20% strand | Q1EM64 |
| B, C | Subtilisin-like serin protease (EC 3.4.21.62) | protein | 274 | 30% helix, 19% strand | Q1EM64 |
| D | Kazal-type serine protease inhibitor spi-1 | protein | 75 | 20% helix, 12% strand | A1X1V8 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 762 | 0.72 | 0.78 | 85 | empty |
| 2 | 394 | 0.61 | 0.77 | 52 | empty |
| 3 | 219 | 0.52 | 0.77 | 39 | empty |
| 4 | 51 | 0.34 | 0.79 | 12 | empty |
| 5 | 76 | 0.32 | 0.75 | 30 | empty |
Interfaces
5 interfaces between chains.
- C–D · 710 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 688 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 457 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 319 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 134 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3QTL · Structural Basis for Dual-inhibition Mechanism of a Non-classical Kazal-type Serine… · 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 Q1EM64
- Every structure of UniProt A1X1V8
- Elsewhere: RCSB PDB 3QTL · PDBe 3QTL · UniProt Q1EM64 · UniProt A1X1V8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.