MolNFT v1 · #1394 · protein
Evidence of a common decamer in three crystal structures of bpti, crystallized from thiocyanate, chloride or sulfate
1B0C · Protein (pancreatic trypsin inhibitor): “Evidence of a common decamer in three crystal structures of bpti, crystallized from thiocyanate, chloride or…”. X-ray diffraction, 6 pockets (best druggability 0.61). MolNFT v1 #1394 on…
- PDB
- 1B0C
- Type
- protein
- Length
- 280 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (pancreatic trypsin inhibitor)
- UniProt
- P00974
- Pockets
- 6 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Protein (pancreatic trypsin inhibitor) | protein | 56 | 20% helix, 27% strand | P00974 |
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 545 | 0.61 | 0.74 | 40 | empty |
| 2 | 127 | 0.37 | 0.73 | 19 | empty |
| 3 | 110 | 0.34 | 0.73 | 19 | empty |
| 4 | 95 | 0.32 | 0.73 | 15 | empty |
| 5 | 77 | 0.30 | 0.73 | 18 | empty |
Interfaces
5 interfaces between chains.
- C–D · 381 Ų buried · 5 hydrogen bonds · protein-protein
- D–E · 318 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 288 Ų buried · 4 hydrogen bonds · protein-protein
- A–E · 265 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 264 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide (disulfide).
Compared structures
- 1B0C · Evidence of a common decamer in three crystal structures of bpti, crystallized from… · the same entry in another collection · chain A against A, TM-score 1.00
- P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P00974
- Elsewhere: RCSB PDB 1B0C · PDBe 1B0C · UniProt P00974
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