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1.52 ångström crystal structure of A42R profilin-like protein from monkeypox virus zaire-96-I-16
Analyse 1.52 ångström crystal structure of A42R profilin-like protein from monkeypox… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QWO
- Type
- protein
- Length
- 266 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Profilin
- UniProt
- Q8V4T7
- Ligands
- CL
- Pockets
- 3 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Profilin | protein | 134 | 30% helix, 31% strand | Q8V4T7 |
| B | Profilin | protein | 132 | 30% helix, 32% strand | Q8V4T7 |
Ligands and binding sites
- CL · Chloride ion · ion · chains B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol · additive · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
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 | 0.49 | 0.75 | 26 | empty |
| 2 | 152 | 0.48 | 0.78 | 15 | PE8 |
| 3 | 180 | 0.47 | 0.76 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 416 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 4QWO · 1.52 Angstrom Crystal Structure of A42R Profilin-like Protein from Monkeypox Virus… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q8V4T7
- Elsewhere: RCSB PDB 4QWO · PDBe 4QWO · UniProt Q8V4T7
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