MolNFT v1 · #5211 · protein
Crystal structure of the MTSP1 (matriptase)-bpti (aprotinin) complex
1EAW · Suppressor of tumorigenicity 14: “Crystal structure of the MTSP1 (matriptase)-bpti (aprotinin) complex”. X-ray diffraction, 4 pockets (best druggability 0.44). MolNFT v1 #5211 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1EAW
- Type
- protein
- Length
- 594 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Suppressor of tumorigenicity 14; Pancreatic trypsin inhibitor
- EC
- 3.4.21.-
- UniProt
- Q9Y5Y6, P00974
- Pockets
- 4 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Suppressor of tumorigenicity 14 (EC 3.4.21.-) | protein | 241 | 10% helix, 37% strand | Q9Y5Y6 |
| B, D | Pancreatic trypsin inhibitor | protein | 56 | 25% helix, 25% strand | P00974 |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 189 | 0.44 | 0.73 | 23 | empty |
| 2 | 69 | 0.37 | 0.77 | 19 | empty |
| 3 | 81 | 0.34 | 0.75 | 13 | empty |
| 4 | 55 | 0.31 | 0.76 | 12 | empty |
Interfaces
3 interfaces between chains.
- A–B · 953 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 924 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 331 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 1EAW · Crystal structure of the MTSP1 (matriptase)-BPTI (aprotinin) complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y5Y6 · AlphaFold monomer V2.0 prediction for suppressor of tumorigenicity 14 protein (Q9Y5Y6) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · 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 Q9Y5Y6
- Every structure of UniProt P00974
- Elsewhere: RCSB PDB 1EAW · PDBe 1EAW · UniProt Q9Y5Y6 · UniProt P00974
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