MolNFT v1 · #99002 · protein
Structure of the vaccinia virus nf- B antagonist A46
4LQK · Protein A46: “Structure of the vaccinia virus nf- B antagonist A46”. X-ray diffraction, 2 ligands (NA, BR), 3 pockets (best druggability 0.63). MolNFT v1 #99002 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LQK
- Type
- protein
- Length
- 534 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein A46
- UniProt
- P26672
- Ligands
- NA, BR
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, A | Protein A46 | protein | 132 | 67% helix, 0% strand | P26672 |
| D, B | Protein A46 | protein | 135 | 68% helix, 0% strand | P26672 |
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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 413 | 0.63 | 0.77 | 34 | empty |
| 2 | 189 | 0.44 | 0.74 | 27 | empty |
| 3 | 66 | 0.31 | 0.75 | 18 | empty |
Interfaces
3 interfaces between chains.
- C–D · 763 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 756 Ų buried · 13 hydrogen bonds · protein-protein
- C–B · 439 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified, 1 disulfide (engineered, disulfide).
Compared structures
- 4LQK · Structure of the vaccinia virus NF- B antagonist A46 · the same entry in another collection · chain C against C, 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 P26672
- Elsewhere: RCSB PDB 4LQK · PDBe 4LQK · UniProt P26672
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