Research workbench
HIV-1 protease complex with U095438 [3-[1-(4-bromophenyl) isobutyl]-4- hydroxycoumarin
Analyse HIV-1 protease complex with U095438 [3-[1-(4-bromophenyl) isobutyl]-4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UPJ
- Type
- protein
- Length
- 99 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HIV-1 protease
- UniProt
- P03367
- Ligands
- U01
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HIV-1 protease | protein | 99 | 4% helix, 47% strand | P03367 |
Ligands and binding sites
- U01 · 3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 154 | 0.47 | 0.77 | 21 | empty |
| 2 | 98 | 0.35 | 0.74 | 19 | empty |
Compared structures
- 1UPJ · HIV-1 protease complex with U095438 [3-[1-(4-bromophenyl) isobutyl]-4-hydroxycoumarin · 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 P03367
- Elsewhere: RCSB PDB 1UPJ · PDBe 1UPJ · UniProt P03367
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