MolNFT v1 · #163957 · protein
Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 lxxll motif
6SIV · MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,INTERFERON…: “Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 lxxll motif”. X-ray diffraction, 2 ligands (GLC, ZN), 7 pockets (best druggability 0.72). MolNFT v1 #163957…
- PDB
- 6SIV
- Type
- protein
- Length
- 519 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,INTERFERON regulatory factor 3; Protein…
- UniProt
- P0AEX9, Q14653, P03126
- Ligands
- GLC, ZN
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,INTERFERON regulatory factor 3 | protein | 383 | 46% helix, 20% strand | P0AEX9, Q14653 |
| B | Protein E6 | protein | 136 | 39% helix, 17% strand | P03126 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 5 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.72 | 0.83 | 34 | GLC |
| 2 | 432 | 0.65 | 0.78 | 41 | empty |
| 3 | 135 | 0.54 | 0.81 | 30 | empty |
| 4 | 97 | 0.48 | 0.81 | 21 | empty |
| 5 | 75 | 0.44 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1133 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6SIV · Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 LxxLL motif · the same entry in another collection · chain A against A, TM-score 1.00
- Q14653 · AlphaFold monomer V2.0 prediction for interferon regulatory factor 3 (Q14653) · a predicted model of the same protein · chain A against A, TM-score 0.26
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 P0AEX9
- Every structure of UniProt Q14653
- Every structure of UniProt P03126
- Elsewhere: RCSB PDB 6SIV · PDBe 6SIV · UniProt P0AEX9 · UniProt Q14653 · UniProt P03126
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