MolNFT v1 · #53880 · protein
Evolutionary basis of HIV restriction by the antiretroviral trimcyp
2X83 · HIV-1 capsid: “Evolutionary basis of HIV restriction by the antiretroviral trimcyp”. X-ray diffraction, 5 pockets (best druggability 0.77). MolNFT v1 #53880 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2X83
- Type
- protein
- Length
- 618 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HIV-1 capsid; TRIM5/CYPA fusion protein
- UniProt
- E9MJX7, B0ZE32
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | HIV-1 capsid | protein | 146 | 57% helix, 4% strand | E9MJX7 |
| B, D | TRIM5/CYPA fusion protein | protein | 163 | 15% helix, 31% strand | B0ZE32 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1019 | 0.77 | 0.79 | 87 | empty |
| 2 | 356 | 0.56 | 0.75 | 42 | empty |
| 3 | 81 | 0.33 | 0.74 | 18 | empty |
| 4 | 53 | 0.30 | 0.76 | 11 | empty |
| 5 | 53 | 0.28 | 0.74 | 11 | empty |
Interfaces
4 interfaces between chains.
- C–D · 546 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 462 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 461 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 45 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2X83 · 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
- Every structure of UniProt E9MJX7
- Every structure of UniProt B0ZE32
- Elsewhere: RCSB PDB 2X83 · PDBe 2X83 · UniProt E9MJX7 · UniProt B0ZE32
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