Research workbench
A simplified bpti variant with poly arg amino acid tag (C3R) at the C- terminus
Analyse A simplified bpti variant with poly arg amino acid tag (C3R) at the C- terminus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AUH
- Type
- protein
- Length
- 225 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bovine pancreatic trypsin inhibitor
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E | Bovine pancreatic trypsin inhibitor | protein | 56 | 21% helix, 27% strand | — |
| G | Bovine pancreatic trypsin inhibitor | protein | 57 | 21% helix, 26% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, C, E, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 426 | 0.63 | 0.77 | 45 | empty |
Interfaces
4 interfaces between chains.
- E–G · 364 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 297 Ų buried · 4 hydrogen bonds · protein-protein
- A–E · 245 Ų buried · 1 hydrogen bond · protein-protein
- A–G · 41 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3AUH · A simplified BPTI variant with poly Arg amino acid tag (C3R) at the C-terminus · the same entry in another collection · chain A against A, 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
- Elsewhere: RCSB PDB 3AUH · PDBe 3AUH
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