MolNFT v2 · #144493 · protein
a hydroxymethyl functionality at the 4-position of the 2-phenyloxazole moiety of HIV-1 protease inhibitors involving the P2' ligands
6B4N: “a hydroxymethyl functionality at the 4-position of the 2-phenyloxazole moiety of HIV-1 protease inhibitors…”. X-ray diffraction at 1.3, 3 ligands (G53, NA, CL). MolNFT v2 #144493 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6B4N
- Type
- protein
- Length
- 198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.3
- Source
- Human immunodeficiency virus 1
- UniProt
- Q6QK01
- Ligands
- G53, NA, CL
Structure
x-ray diffraction · resolution 1.3 · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 99 | — | Q6QK01 |
Ligands and binding sites
- G53 · Methyl 2-{4-[{(2R,3S)-3-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl) sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate · ligand · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6B4N · A hydroxymethyl functionality at the 4-position of the 2-phenyloxazole moiety of HIV-1… · 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 Q6QK01
- Elsewhere: RCSB PDB 6B4N · PDBe 6B4N · UniProt Q6QK01
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