Research workbench
Structure of caspase-9 in an inhibitory complex with xiap-BIR3
Analyse Structure of caspase-9 in an inhibitory complex with xiap-BIR3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NW9
- Type
- protein
- Length
- 329 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Baculoviral iap repeat-containing protein 4; Caspase 9, apoptosis-related cysteine…
- UniProt
- P98170, P55211
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Baculoviral iap repeat-containing protein 4 | protein | 91 | 42% helix, 10% strand | P98170 |
| B | Caspase 9, apoptosis-related cysteine protease | protein | 238 | 29% helix, 22% strand | P55211 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.49 | 0.79 | 25 | empty |
| 2 | 141 | 0.40 | 0.74 | 32 | empty |
| 3 | 52 | 0.40 | 0.82 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1095 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
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 P98170
- Every structure of UniProt P55211
- Elsewhere: RCSB PDB 1NW9 · PDBe 1NW9 · UniProt P98170 · UniProt P55211
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