MolNFT v1 · #53879 · protein
Evolutionary basis of HIV restriction by the antiretroviral trimcyp
2X82 · Capsid protein P24: “Evolutionary basis of HIV restriction by the antiretroviral trimcyp”. X-ray diffraction, 6 pockets (best druggability 0.38). MolNFT v1 #53879 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2X82
- Type
- protein
- Length
- 580 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein P24
- Pockets
- 6 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Capsid protein P24 | protein | 145 | 56% helix, 4% strand | — |
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.38 | 0.81 | 13 | empty |
| 2 | 68 | 0.36 | 0.77 | 13 | empty |
| 3 | 56 | 0.28 | 0.75 | 13 | empty |
| 4 | 76 | 0.28 | 0.72 | 16 | empty |
| 5 | 65 | 0.28 | 0.73 | 8 | empty |
Interfaces
4 interfaces between chains.
- C–D · 806 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 780 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 527 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 57 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2X82 · Evolutionary basis of HIV restriction by the antiretroviral TRIMCyp · 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
- Elsewhere: RCSB PDB 2X82 · PDBe 2X82
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