MolNFT v1 · #48546 · protein
Crystal structure of HIV-1 CA146 A92E psuedo cell
2PWO · Gag-pol polyprotein (PR160GAG-pol): “Crystal structure of HIV-1 CA146 A92E psuedo cell”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.73). MolNFT v1 #48546 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2PWO
- Type
- protein
- Length
- 577 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gag-pol polyprotein (PR160GAG-pol)
- UniProt
- P12497
- Ligands
- CL
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 57% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gag-pol polyprotein (PR160GAG-pol) | protein | 144 | 57% helix, 3% strand | P12497 |
| B | Gag-pol polyprotein (PR160GAG-pol) | protein | 143 | 57% helix, 4% strand | P12497 |
| C, D | Gag-pol polyprotein (PR160GAG-pol) | protein | 145 | 57% helix, 4% strand | P12497 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 635 | 0.73 | 0.80 | 54 | CL |
| 2 | 663 | 0.72 | 0.79 | 56 | CL |
| 3 | 274 | 0.67 | 0.83 | 37 | empty |
| 4 | 269 | 0.62 | 0.80 | 41 | empty |
| 5 | 72 | 0.33 | 0.75 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 964 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 958 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 561 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2PWO · Crystal Structure of HIV-1 CA146 A92E Psuedo Cell · 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 P12497
- Elsewhere: RCSB PDB 2PWO · PDBe 2PWO · UniProt P12497
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