MolNFT v1 · #50934 · protein
Crystal structure of an engineered subtilisin inhibitor complexed with bovine trypsin
2TLD: “Crystal structure of an engineered subtilisin inhibitor complexed with bovine trypsin”. X-ray diffraction, 1 pocket (best druggability 0.61). MolNFT v1 #50934 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2TLD
- Type
- protein
- Length
- 330 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin; Streptomyces subtilisin inhibitor (ssi)
- EC
- 3.4.21.4
- UniProt
- P00760, P01006
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Trypsin (EC 3.4.21.4) | protein | 220 | 0% helix, 0% strand | P00760 |
| I | Streptomyces subtilisin inhibitor (ssi) | protein | 110 | 0% helix, 0% strand | P01006 |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 460 | 0.61 | 0.73 | 94 | empty |
Interfaces
1 interface between chains.
- E–I · 155 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2TLD · Crystal structure of an engineered subtilisin inhibitor complexed with bovine trypsin · the same entry in another collection · chain E against E, TM-score 1.00
- 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
- 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
- 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
- 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
- 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
- 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 0.98
- P01006 · AlphaFold monomer V2.0 prediction for subtilisin inhibitor (P01006) · a predicted model of the same protein · chain I against A, TM-score 0.90
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
- Every structure of UniProt P01006
- Elsewhere: RCSB PDB 2TLD · PDBe 2TLD · UniProt P00760 · UniProt P01006
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