MolNFT v1 · #74863 · protein
Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (bpti-K15R/R17D)
3P95 · PRSS3 protein: “Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (bpti-K15R/R17D)”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.36). MolNFT v1 #74863 on GenesisL1: 3D structure…
- PDB
- 3P95
- Type
- protein
- Length
- 282 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PRSS3 protein; Pancreatic trypsin inhibitor
- EC
- 3.4.21.4
- UniProt
- Q8N2U3, P00974
- Ligands
- CA
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PRSS3 protein (EC 3.4.21.4) | protein | 224 | 11% helix, 36% strand | Q8N2U3 |
| E | Pancreatic trypsin inhibitor | protein | 58 | 21% helix, 28% strand | P00974 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.36 | 0.75 | 19 | empty |
| 2 | 95 | 0.34 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–E · 663 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3P95 · Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant… · the same entry in another collection · chain A against A, TM-score 1.00
- P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · a predicted model of the same protein · chain E against A, TM-score 0.95
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 Q8N2U3
- Every structure of UniProt P00974
- Elsewhere: RCSB PDB 3P95 · PDBe 3P95 · UniProt Q8N2U3 · UniProt P00974
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.