Research workbench
Crystal structure of the apr-aprin complex
Analyse Crystal structure of the apr-aprin complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JIW
- Type
- protein
- Length
- 575 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkaline metalloproteinase; Proteinase inhibitor
- EC
- 3.4.24.-
- UniProt
- Q03023, Q03026
- Ligands
- CA, ZN
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| P | Alkaline metalloproteinase (EC 3.4.24.-) | protein | 470 | 19% helix, 22% strand | Q03023 |
| I | Proteinase inhibitor | protein | 105 | 12% helix, 52% strand | Q03026 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 344 | 0.58 | 0.76 | 59 | empty |
| 2 | 226 | 0.49 | 0.75 | 27 | empty |
| 3 | 204 | 0.47 | 0.75 | 27 | empty |
| 4 | 86 | 0.36 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- P–I · 1049 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1JIW · Crystal structure of the APR-APRin complex · the same entry in another collection · chain P against P, TM-score 1.00
- Q03023 · AlphaFold monomer V2.0 prediction for serralysin (Q03023) · a predicted model of the same protein · chain P against A, TM-score 0.99
- Q03026 · AlphaFold monomer V2.0 prediction for proteinase inhibitor (Q03026) · a predicted model of the same protein · chain I 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 Q03023
- Every structure of UniProt Q03026
- Elsewhere: RCSB PDB 1JIW · PDBe 1JIW · UniProt Q03023 · UniProt Q03026
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