Research workbench
Crystal structure of drice and DIAP1-BIR1 complex
Analyse Crystal structure of drice and DIAP1-BIR1 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SIP
- Type
- protein
- Length
- 712 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Caspase; Apoptosis 1 inhibitor
- EC
- 3.4.22.-, 6.3.2.-
- UniProt
- O01382, Q24306
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 6 distinct chains · 28% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Caspase (EC 3.4.22.-) | protein | 149 | 26% helix, 28% strand | O01382 |
| C | Caspase (EC 3.4.22.-) | protein | 152 | 26% helix, 28% strand | O01382 |
| E | Apoptosis 1 inhibitor (EC 6.3.2.-) | protein | 100 | 29% helix, 13% strand | Q24306 |
| F | Apoptosis 1 inhibitor (EC 6.3.2.-) | protein | 108 | 27% helix, 12% strand | Q24306 |
| B | Caspase (EC 3.4.22.-) | protein | 103 | 29% helix, 17% strand | O01382 |
| D | Caspase (EC 3.4.22.-) | protein | 100 | 30% helix, 18% strand | O01382 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 645 | 0.76 | 0.81 | 45 | empty |
| 2 | 511 | 0.69 | 0.79 | 55 | empty |
| 3 | 469 | 0.66 | 0.78 | 56 | empty |
| 4 | 145 | 0.49 | 0.79 | 27 | empty |
| 5 | 107 | 0.46 | 0.79 | 18 | empty |
Interfaces
13 interfaces between chains.
- A–B · 2479 Ų buried · 35 hydrogen bonds · protein-protein
- C–D · 2458 Ų buried · 36 hydrogen bonds · protein-protein
- B–D · 1411 Ų buried · 10 hydrogen bonds · protein-protein
- F–B · 745 Ų buried · 12 hydrogen bonds · protein-protein
- E–D · 711 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3SIP · Crystal structure of drICE and dIAP1-BIR1 complex · the same entry in another collection · chain D against D, 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 E against A, TM-score 0.97
- O01382 · AlphaFold monomer V2.0 prediction for caspase (O01382) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 O01382
- Every structure of UniProt Q24306
- Elsewhere: RCSB PDB 3SIP · PDBe 3SIP · UniProt O01382 · UniProt Q24306
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