MolNFT v1 · #101163 · protein
Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) trigonal form
4NIV · Cationic trypsin: “Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) trigonal form”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.44). MolNFT v1 #101163 on GenesisL1: 3D structure, binding sites…
- PDB
- 4NIV
- Type
- protein
- Length
- 193 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cationic trypsin
- EC
- 3.4.21.4
- UniProt
- P00760
- Ligands
- CA
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cationic trypsin (EC 3.4.21.4) | protein | 193 | 12% helix, 40% strand | P00760 |
Ligands and binding sites
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 | 52 | 0.44 | 0.84 | 21 | empty |
| 2 | 50 | 0.26 | 0.74 | 18 | empty |
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 4NIV · Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) trigonal form · the same entry in another collection · chain A against A, TM-score 1.00
- 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
- 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
- 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
- 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
- 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
- 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · 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 P00760
- Elsewhere: RCSB PDB 4NIV · PDBe 4NIV · UniProt P00760
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