Research workbench
Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin bpn'
Analyse Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1V5I
- Type
- protein
- Length
- 351 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Subtilisin bpn'; Ia-1=SERINE proteinase inhibitor
- EC
- 3.4.21.62
- UniProt
- P00782, Q7M4T6
- Ligands
- CA, SO4
- Pockets
- 1 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Subtilisin bpn' (EC 3.4.21.62) | protein | 275 | 29% helix, 21% strand | P00782 |
| B | Ia-1=SERINE proteinase inhibitor | protein | 76 | 30% helix, 39% strand | Q7M4T6 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 16 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.40 | 0.82 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1024 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 1V5I · Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin BPN' · the same entry in another collection · chain A against A, TM-score 1.00
- Q7M4T6 · AlphaFold monomer V2.0 prediction for serine proteinase inhibitor ia-1 (Q7M4T6) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 Q7M4T6
- Elsewhere: RCSB PDB 1V5I · PDBe 1V5I · UniProt P00782 · UniProt Q7M4T6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.