Research workbench
Structure of the subtilisin induced serpin-type proteinase inhibitor, miropin.
Analyse Structure of the subtilisin induced serpin-type proteinase inhibitor, miropin. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5NCU
- Type
- protein
- Length
- 363 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serpin
- UniProt
- G8UQY8
- Ligands
- K, IOD, CL
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serpin | protein | 330 | 31% helix, 36% strand | G8UQY8 |
| B | Serpin | protein | 33 | 0% helix, 58% strand | G8UQY8 |
Ligands and binding sites
- K · Potassium ion · metal · chains A
- IOD · Iodide ion · ion · 6 copies · chains A, B
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 86 | 0.63 | 0.90 | 25 | IOD, GOL |
| 2 | 54 | 0.30 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2541 Ų buried · 48 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide, 1 modified (disulfide, oxidation).
Compared structures
- 5NCU · Structure of the subtilisin induced serpin-type proteinase inhibitor, miropin. · 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 G8UQY8
- Elsewhere: RCSB PDB 5NCU · PDBe 5NCU · UniProt G8UQY8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.