MolNFT v1 · #67133 · protein
Crystal structure of unliganded caspase-7
3IBF: “Crystal structure of unliganded caspase-7”. X-ray diffraction, 2 pockets (best druggability 0.76). MolNFT v1 #67133 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3IBF
- Type
- protein
- Length
- 469 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Caspase-7
- EC
- 3.4.22.60
- UniProt
- P55210
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Caspase-7 (EC 3.4.22.60) | protein | 140 | 32% helix, 31% strand | P55210 |
| B, D | Caspase-7 (EC 3.4.22.60) | protein | 92 | 32% helix, 18% strand | P55210 |
| C | Caspase-7 (EC 3.4.22.60) | protein | 145 | 26% helix, 29% strand | P55210 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 563 | 0.76 | 0.83 | 51 | empty |
| 2 | 52 | 0.40 | 0.81 | 20 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2449 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 2252 Ų buried · 30 hydrogen bonds · protein-protein
- B–D · 1383 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 540 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 408 Ų buried · 7 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 P55210
- Elsewhere: RCSB PDB 3IBF · PDBe 3IBF · UniProt P55210
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