Research workbench
Structure of porcine trypsin complexed with bdellastasin, an antistasin-type inhibitor
Analyse Structure of porcine trypsin complexed with bdellastasin, an antistasin-type… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1EJA
- Type
- protein
- Length
- 276 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin; Bdellastasin
- EC
- 3.4.21.4
- UniProt
- P00761, P82107
- Ligands
- NA
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trypsin (EC 3.4.21.4) | protein | 223 | 10% helix, 37% strand | P00761 |
| B | Bdellastasin | protein | 53 | 0% helix, 32% strand | P82107 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 265 | 0.55 | 0.77 | 30 | empty |
| 2 | 80 | 0.36 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 763 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 disulfide (disulfide).
Compared structures
- 1EJA · Structure of porcine trypsin complexed with bdellastasin, an antistasin-type inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P00761 · AlphaFold monomer V2.0 prediction for trypsin (P00761) · a predicted model of the same protein · chain A against A, TM-score 1.00
- P82107 · AlphaFold monomer V2.0 prediction for bdellastasin (P82107) · a predicted model of the same protein · chain B against A, TM-score 0.53
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 P00761
- Every structure of UniProt P82107
- Elsewhere: RCSB PDB 1EJA · PDBe 1EJA · UniProt P00761 · UniProt P82107
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