MolNFT v1 · #113570 · protein
Crystal structure of variola virus virulence factor F1L in complex with human bid BH3 domain
5AJJ · Homolog of vaccinia virus cds F1L putative: “Crystal structure of variola virus virulence factor F1L in complex with human bid BH3 domain”. X-ray diffraction, 3 pockets (best druggability 0.46). MolNFT v1 #113570 on GenesisL1: 3D…
- PDB
- 5AJJ
- Type
- protein
- Length
- 167 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homolog of vaccinia virus cds F1L putative; BH3-interacting domain death agonist
- UniProt
- Q85365, P55957
- Pockets
- 3 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Homolog of vaccinia virus cds F1L putative | protein | 138 | 83% helix, 0% strand | Q85365 |
| B | BH3-interacting domain death agonist | protein | 29 | 66% helix, 0% strand | P55957 |
Ligands and binding sites
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 | 215 | 0.46 | 0.73 | 26 | empty |
| 2 | 117 | 0.43 | 0.76 | 16 | empty |
| 3 | 85 | 0.32 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1123 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5AJJ · Crystal structure of variola virus virulence factor F1L in complex with human Bid BH3… · the same entry in another collection · chain A against A, TM-score 1.00
- P55957 · AlphaFold monomer V2.0 prediction for BH3-interacting domain death agonist (P55957) · a predicted model of the same protein · chain B against A, TM-score 0.64
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 Q85365
- Every structure of UniProt P55957
- Elsewhere: RCSB PDB 5AJJ · PDBe 5AJJ · UniProt Q85365 · UniProt P55957
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