MolNFT v1 · #85795 · protein
Kuntiz type trypsin inhibitor with factor xa inhibitory activity
4AN6: “Kuntiz type trypsin inhibitor with factor xa inhibitory activity”. X-ray diffraction, 4 pockets (best druggability 0.43). MolNFT v1 #85795 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4AN6
- Type
- protein
- Length
- 343 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin inhibitor
- UniProt
- F4ZZG4
- Pockets
- 4 · best druggability 0.43
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trypsin inhibitor | protein | 172 | 0% helix, 47% strand | F4ZZG4 |
| B | Trypsin inhibitor | protein | 171 | 0% helix, 42% strand | F4ZZG4 |
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 | 134 | 0.43 | 0.76 | 23 | empty |
| 2 | 130 | 0.40 | 0.75 | 24 | empty |
| 3 | 58 | 0.31 | 0.76 | 16 | empty |
| 4 | 57 | 0.28 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1052 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4AN6 · Kuntiz type trypsin inhibitor with factor Xa inhibitory activity · 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 F4ZZG4
- Elsewhere: RCSB PDB 4AN6 · PDBe 4AN6 · UniProt F4ZZG4
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