Research workbench
Complex of bdellastasin with bovine trypsin
Analyse Complex of bdellastasin with bovine trypsin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1C9T
- Type
- protein
- Length
- 1,656 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin; Bdellastasin
- EC
- 3.4.21.4
- UniProt
- P00760, P82107
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Trypsin (EC 3.4.21.4) | protein | 223 | 11% helix, 37% strand | P00760 |
| G, H, I, J, K, L | Bdellastasin | protein | 53 | 0% helix, 45% strand | P82107 |
Pockets
20 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1115 | 0.77 | 0.79 | 93 | empty |
| 2 | 354 | 0.60 | 0.77 | 39 | empty |
| 3 | 175 | 0.48 | 0.76 | 20 | empty |
| 4 | 175 | 0.46 | 0.75 | 29 | empty |
| 5 | 80 | 0.46 | 0.81 | 21 | empty |
Interfaces
12 interfaces between chains.
- B–H · 707 Ų buried · 13 hydrogen bonds · protein-protein
- C–I · 666 Ų buried · 16 hydrogen bonds · protein-protein
- D–J · 664 Ų buried · 17 hydrogen bonds · protein-protein
- F–L · 649 Ų buried · 14 hydrogen bonds · protein-protein
- E–K · 643 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 66 disulfide (disulfide).
Compared structures
- 1C9T · Complex of bdellastasin with bovine trypsin · the same entry in another collection · chain L against L, 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
- Every structure of UniProt P82107
- Elsewhere: RCSB PDB 1C9T · PDBe 1C9T · UniProt P00760 · UniProt P82107
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