MolNFT v1 · #127989 · protein
Structure of the trypsin induced serpin-type proteinase inhibitor, miropin (V367K/K368A mutant).
5NCW: “Structure of the trypsin induced serpin-type proteinase inhibitor, miropin (V367K/K368A mutant).”. X-ray diffraction, 4 ligands (ZN, K, CL), 2 pockets (best druggability 0.35). MolNFT v1 #127989 on GenesisL1: 3D structure, binding…
- PDB
- 5NCW
- Type
- protein
- Length
- 367 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serpin-type proteinase inhibitor, miropin
- UniProt
- G8UQY8
- Ligands
- ZN, K, CL, IOD
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serpin-type proteinase inhibitor, miropin | protein | 334 | 33% helix, 34% strand | G8UQY8 |
| B | Serpin-type proteinase inhibitor, miropin | protein | 33 | 0% helix, 58% strand | G8UQY8 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- K · Potassium ion · metal · chains A
- CL · Chloride ion · ion · 6 copies · chains A
- IOD · Iodide ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.35 | 0.75 | 21 | ZN |
| 2 | 67 | 0.31 | 0.74 | 12 | CL |
Interfaces
1 interface between chains.
- A–B · 2577 Ų buried · 50 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5NCW · Structure of the trypsin induced serpin-type proteinase inhibitor, miropin (V367K/K368A… · 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 5NCW · PDBe 5NCW · UniProt G8UQY8
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