MolNFT v1 · #53849 · protein
Human foamy virus integrase - catalytic core.
2X78: “Human foamy virus integrase - catalytic core.”. X-ray diffraction, 11 pockets (best druggability 0.75). MolNFT v1 #53849 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2X78
- Type
- protein
- Length
- 530 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrase
- UniProt
- P14350
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrase | protein | 171 | 43% helix, 19% strand | P14350 |
| B | Integrase | protein | 176 | 42% helix, 17% strand | P14350 |
| C | Integrase | protein | 183 | 42% helix, 16% strand | P14350 |
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 78 | 0.75 | 0.97 | 22 | empty |
| 2 | 353 | 0.74 | 0.85 | 36 | empty |
| 3 | 376 | 0.66 | 0.79 | 50 | empty |
| 4 | 127 | 0.58 | 0.84 | 18 | empty |
| 5 | 310 | 0.57 | 0.76 | 44 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1424 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 576 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2X78 · Human foamy virus integrase - catalytic core. · 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 P14350
- Elsewhere: RCSB PDB 2X78 · PDBe 2X78 · UniProt P14350
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