MolNFT v1 · #140510 · protein
Crystal structure of alocasin, protease inhibitor from giant taro (arum macrorrhizon)
5YCZ · TRYPSIN/CHYMOTRYPSIN inhibitor: “Crystal structure of alocasin, protease inhibitor from giant taro (arum macrorrhizon)”. X-ray diffraction, 2 pockets (best druggability 0.51). MolNFT v1 #140510 on GenesisL1: 3D structure, binding…
- PDB
- 5YCZ
- Type
- protein
- Length
- 350 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TRYPSIN/CHYMOTRYPSIN inhibitor
- UniProt
- P35812
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TRYPSIN/CHYMOTRYPSIN inhibitor | protein | 178 | 0% helix, 36% strand | P35812 |
| B | TRYPSIN/CHYMOTRYPSIN inhibitor | protein | 172 | 0% helix, 33% strand | P35812 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 241 | 0.51 | 0.75 | 39 | empty |
| 2 | 198 | 0.47 | 0.75 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 681 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 5YCZ · Crystal structure of Alocasin, protease inhibitor from Giant Taro (Arum macrorrhizon) · the same entry in another collection · chain A against A, TM-score 1.00
- P35812 · AlphaFold monomer V2.0 prediction for TRYPSIN/CHYMOTRYPSIN inhibitor (P35812) · a predicted model of the same protein · chain A 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 P35812
- Elsewhere: RCSB PDB 5YCZ · PDBe 5YCZ · UniProt P35812
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