Research workbench
Refined crystal structure of the complex of subtilisin bpn' and streptomyces subtilisin inhibitor at 1.8 ångströms resolution
Analyse Refined crystal structure of the complex of subtilisin bpn' and streptomyces… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2SIC
- Type
- protein
- Length
- 382 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Subtilisin bpn'; Streptomyces subtilisin inhibitor (ssi)
- EC
- 3.4.21.14
- UniProt
- P00782, P01006
- Ligands
- CA
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Subtilisin bpn' (EC 3.4.21.14) | protein | 275 | 30% helix, 21% strand | P00782 |
| I | Streptomyces subtilisin inhibitor (ssi) | protein | 107 | 15% helix, 36% 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 | 117 | 0.45 | 0.78 | 27 | empty |
| 2 | 95 | 0.38 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- E–I · 842 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2SIC · Refined crystal structure of the complex of subtilisin bpn' and streptomyces subtilisin… · the same entry in another collection · chain E against E, 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 2SIC · PDBe 2SIC · UniProt P00782 · UniProt P01006
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