MolNFT v1 · #2526 · protein
Evidence of a common decamer in three crystal structures of bpti, crystallize from thiocyanate, chloride or sulfate
1BZ5 · Pancreatic trypsin inhibitor: “Evidence of a common decamer in three crystal structures of bpti, crystallize from thiocyanate, chloride or…”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.67). MolNFT v1 #2526 on…
- PDB
- 1BZ5
- Type
- protein
- Length
- 280 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pancreatic trypsin inhibitor
- UniProt
- P00974
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Pancreatic trypsin inhibitor | protein | 56 | 21% helix, 27% strand | P00974 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, E, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 661 | 0.67 | 0.76 | 40 | empty |
| 2 | 140 | 0.39 | 0.73 | 19 | empty |
| 3 | 128 | 0.37 | 0.73 | 19 | empty |
| 4 | 109 | 0.35 | 0.73 | 17 | empty |
| 5 | 105 | 0.35 | 0.73 | 16 | empty |
Interfaces
5 interfaces between chains.
- C–D · 338 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 321 Ų buried · 4 hydrogen bonds · protein-protein
- A–E · 320 Ų buried · 4 hydrogen bonds · protein-protein
- D–E · 316 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 316 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide (disulfide).
Compared structures
- 1BZ5 · Evidence of a common decamer in three crystal structures of bpti, crystallize from… · the same entry in another collection · chain C against C, 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 0.98
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 1BZ5 · PDBe 1BZ5 · UniProt P00974
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