Research workbench
Structure of the complex of streptomyces griseus proteinase B and polypeptide chymotrypsin inhibitor-1 from russet burbank potato tubers at 2.1 ångströms resolution
Analyse Structure of the complex of streptomyces griseus proteinase B and polypeptide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4SGB
- Type
- protein
- Length
- 236 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine proteinase B; Potato inhibitor, pci-1
- UniProt
- P00777, P01080
- Ligands
- CA, SO4
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Serine proteinase B | protein | 185 | 6% helix, 56% strand | P00777 |
| I | Potato inhibitor, pci-1 | protein | 51 | 0% helix, 29% strand | P01080 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.47 | 0.81 | 22 | empty |
| 2 | 116 | 0.37 | 0.74 | 17 | empty |
| 3 | 53 | 0.27 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- E–I · 632 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4SGB · Structure of the complex of streptomyces griseus proteinase B and polypeptide… · the same entry in another collection · chain E against E, TM-score 1.00
- P00777 · AlphaFold monomer V2.0 prediction for streptogrisin-B (P00777) · a predicted model of the same protein · chain E against A, TM-score 0.99
- P01080 · AlphaFold monomer V2.0 prediction for proteinase inhibitor type-2 K (P01080) · a predicted model of the same protein · chain I against A, TM-score 0.91
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 P00777
- Every structure of UniProt P01080
- Elsewhere: RCSB PDB 4SGB · PDBe 4SGB · UniProt P00777 · UniProt P01080
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