MolNFT v1 · #36362 · protein
Crystal structure of infestin 1, a kazal-type serineprotease inhibitor, in complex with trypsin
2F3C · Cationic trypsin: “Crystal structure of infestin 1, a kazal-type serineprotease inhibitor, in complex with trypsin”. X-ray diffraction, 2 ligands (CA, SO4), 1 pocket (best druggability 0.49). MolNFT v1 #36362 on GenesisL1: 3D…
- PDB
- 2F3C
- Type
- protein
- Length
- 267 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cationic trypsin; Thrombin inhibitor infestin
- EC
- 3.4.21.4
- UniProt
- P00760
- Ligands
- CA, SO4
- Pockets
- 1 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Cationic trypsin (EC 3.4.21.4) | protein | 221 | 10% helix, 36% strand | P00760 |
| I | Thrombin inhibitor infestin | protein | 46 | 24% helix, 26% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 162 | 0.49 | 0.78 | 23 | SO4 |
Interfaces
1 interface between chains.
- E–I · 730 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 2F3C · Crystal structure of infestin 1, a Kazal-type serineprotease inhibitor, in complex with… · the same entry in another collection · chain I against I, TM-score 1.00
- 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.99
- 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.99
- 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.99
- 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.99
- 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.99
- 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.99
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 P00760
- Elsewhere: RCSB PDB 2F3C · PDBe 2F3C · UniProt P00760
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