Research workbench
Crystal structure of chimpanzee adenovirus (type 68/SIMIAN 25) major coat protein hexon
Analyse Crystal structure of chimpanzee adenovirus (type 68/SIMIAN 25) major coat… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2OBE
- Type
- protein
- Length
- 2,730 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hexon protein
- UniProt
- Q8UY79
- Ligands
- 2HP
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 17% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hexon protein | protein | 915 | 17% helix, 31% strand | Q8UY79 |
| B | Hexon protein | protein | 906 | 18% helix, 31% strand | Q8UY79 |
| C | Hexon protein | protein | 909 | 17% helix, 31% strand | Q8UY79 |
Ligands and binding sites
- 2HP · Dihydrogenphosphate ion · ion · 22 copies · chains A, B, C
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 24 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 989 | 0.78 | 0.80 | 96 | MPD |
| 2 | 1066 | 0.77 | 0.79 | 88 | 2HP, MPD |
| 3 | 1042 | 0.77 | 0.79 | 94 | MPD, 2HP |
| 4 | 318 | 0.70 | 0.84 | 31 | MPD |
| 5 | 321 | 0.69 | 0.83 | 30 | MPD |
Interfaces
3 interfaces between chains.
- A–B · 8755 Ų buried · 141 hydrogen bonds · protein-protein
- B–C · 8670 Ų buried · 138 hydrogen bonds · protein-protein
- A–C · 8617 Ų buried · 144 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2OBE · Crystal Structure of Chimpanzee Adenovirus (Type 68/Simian 25) Major Coat Protein Hexon · 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 Q8UY79
- Elsewhere: RCSB PDB 2OBE · PDBe 2OBE · UniProt Q8UY79
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