Research workbench
Molecular recognition at the active site of subtilisin bpn': crystallographic studies using genetically engineered proteinaceous inhibitor ssi (streptomyces subtilisin inhibitor)
Analyse Molecular recognition at the active site of subtilisin bpn': crystallographic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SIC
- Type
- protein
- Length
- 382 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Bacillus amyloliquefaciens
- Molecule
- Subtilisin bpn'; Streptomyces subtilisin inhibitor (ssi)
- EC
- 3.4.21.62
- UniProt
- P00782, P01006
- Ligands
- CA
- Pockets
- 2 · best druggability 0.43
Structure
x-ray diffraction · resolution 1.8 · 2 distinct chains · 25% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Subtilisin bpn' (EC 3.4.21.62) | protein | 275 | 28% helix, 22% strand | P00782 |
| I | Streptomyces subtilisin inhibitor (ssi) | protein | 107 | 15% helix, 37% strand | P01006 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.43 | 0.77 | 29 | empty |
| 2 | 104 | 0.40 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- E–I · 827 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3SIC · Molecular recognition at the active site of subtilisin bpn': crystallographic studies… · the same entry in another collection · chain E against E, TM-score 1.00
- P00782 · AlphaFold monomer V2.0 prediction for subtilisin bpn' (P00782) · a predicted model of the same protein · chain E against A, TM-score 1.00
- P01006 · AlphaFold monomer V2.0 prediction for subtilisin inhibitor (P01006) · a predicted model of the same protein · chain I against A, TM-score 0.94
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 P00782
- Every structure of UniProt P01006
- Elsewhere: RCSB PDB 3SIC · PDBe 3SIC · UniProt P00782 · UniProt P01006
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.