Research workbench
Crystal structure of a DIAP1-dronc complex
Analyse Crystal structure of a DIAP1-dronc complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1Q4Q
- Type
- protein
- Length
- 1,043 residues
- Chains
- 20
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apoptosis 1 inhibitor; NEDD2-like caspase CG8091-pa
- UniProt
- Q24306, Q9XYF4
- Ligands
- ZN
- Pockets
- 14 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, F, H, I | Apoptosis 1 inhibitor | protein | 94 | 41% helix, 10% strand | Q24306 |
| B, E, G, J | Apoptosis 1 inhibitor | protein | 101 | 47% helix, 9% strand | Q24306 |
| K, L, N, O, P | NEDD2-like caspase CG8091-pa | protein | 8 | 0% helix, 25% strand | Q9XYF4 |
| M, Q, R, S, T | NEDD2-like caspase CG8091-pa | protein | 7 | 0% helix, 29% strand | Q9XYF4 |
Ligands and binding sites
- ZN · Zinc ion · metal · 10 copies · chains A, B, C, D, E, F, G, H, I, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 873 | 0.72 | 0.77 | 90 | empty |
| 2 | 670 | 0.71 | 0.78 | 72 | empty |
| 3 | 735 | 0.71 | 0.78 | 92 | empty |
| 4 | 607 | 0.70 | 0.78 | 83 | empty |
| 5 | 125 | 0.41 | 0.75 | 27 | empty |
Interfaces
44 interfaces between chains.
- E–J · 684 Ų buried · 8 hydrogen bonds · protein-protein
- H–I · 656 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 650 Ų buried · 8 hydrogen bonds · protein-protein
- F–G · 645 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 637 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1Q4Q · Crystal structure of a DIAP1-Dronc complex · the same entry in another collection · chain K against K, TM-score 1.00
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 Q24306
- Every structure of UniProt Q9XYF4
- Elsewhere: RCSB PDB 1Q4Q · PDBe 1Q4Q · UniProt Q24306 · UniProt Q9XYF4
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