Research workbench
Crystal structure of complex of bbki mutant, L55R with bovine trypsin
Analyse Crystal structure of complex of bbki mutant, L55R 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
- 6DWF
- Type
- protein
- Length
- 2,316 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cationic trypsin; Kunitz-type inihibitor
- EC
- 3.4.21.4
- UniProt
- P00760, Q6VEQ7
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Cationic trypsin (EC 3.4.21.4) | protein | 223 | 11% helix, 37% strand | P00760 |
| G, H, I, J, K, L | Kunitz-type inihibitor | protein | 163 | 0% helix, 48% strand | Q6VEQ7 |
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 551 | 0.80 | 0.86 | 61 | empty |
| 2 | 550 | 0.78 | 0.84 | 61 | empty |
| 3 | 156 | 0.67 | 0.88 | 30 | empty |
| 4 | 335 | 0.67 | 0.82 | 59 | empty |
| 5 | 169 | 0.67 | 0.87 | 30 | empty |
Interfaces
12 interfaces between chains.
- F–L · 1004 Ų buried · 23 hydrogen bonds · protein-protein
- B–H · 997 Ų buried · 23 hydrogen bonds · protein-protein
- E–K · 991 Ų buried · 25 hydrogen bonds · protein-protein
- D–J · 990 Ų buried · 24 hydrogen bonds · protein-protein
- C–I · 989 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide (disulfide).
Compared structures
- 6DWF · Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin · the same entry in another collection · chain K against K, 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 Q6VEQ7
- Elsewhere: RCSB PDB 6DWF · PDBe 6DWF · UniProt P00760 · UniProt Q6VEQ7
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