Research workbench
Crystal structure of autoinhibited DIAP1-BIR1 domain
Analyse Crystal structure of autoinhibited DIAP1-BIR1 domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SIQ
- Type
- protein
- Length
- 586 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apoptosis 1 inhibitor
- EC
- 6.3.2.-
- UniProt
- Q24306
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.43
Structure
x-ray diffraction · 6 distinct chains · 27% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apoptosis 1 inhibitor (EC 6.3.2.-) | protein | 103 | 26% helix, 13% strand | Q24306 |
| B | Apoptosis 1 inhibitor (EC 6.3.2.-) | protein | 95 | 24% helix, 14% strand | Q24306 |
| C | Apoptosis 1 inhibitor (EC 6.3.2.-) | protein | 97 | 29% helix, 13% strand | Q24306 |
| D | Apoptosis 1 inhibitor (EC 6.3.2.-) | protein | 97 | 25% helix, 13% strand | Q24306 |
| E | Apoptosis 1 inhibitor (EC 6.3.2.-) | protein | 99 | 28% helix, 13% strand | Q24306 |
| F | Apoptosis 1 inhibitor (EC 6.3.2.-) | protein | 95 | 29% helix, 17% strand | Q24306 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.43 | 0.79 | 16 | empty |
| 2 | 127 | 0.42 | 0.76 | 18 | empty |
| 3 | 59 | 0.34 | 0.77 | 13 | empty |
| 4 | 68 | 0.33 | 0.76 | 17 | empty |
| 5 | 52 | 0.26 | 0.74 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 441 Ų buried · 3 hydrogen bonds · protein-protein
- E–F · 390 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 383 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3SIQ · Crystal Structure of autoinhibited dIAP1-BIR1 domain · the same entry in another collection · chain F against F, TM-score 1.00
- Q24306 · AlphaFold monomer V2.0 prediction for death-associated inhibitor of apoptosis 1 (Q24306) · a predicted model of the same protein · chain B against A, TM-score 0.93
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
- Elsewhere: RCSB PDB 3SIQ · PDBe 3SIQ · UniProt Q24306
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