MolNFT v1 · #167553 · protein
HIV-1 wild type protease with grl-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran (chf-thf) derivative as the P2 ligand and a AMINOBENZOTHIAZOLE(ABT)-based P2'-ligand
6VOE: “HIV-1 wild type protease with grl-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran (chf-thf)…”. X-ray diffraction, 3 ligands (T2R, NA, CL). MolNFT v1 #167553 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6VOE
- Type
- protein
- Length
- 198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q5RZ08
- Ligands
- T2R, NA, CL
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 99 | — | Q5RZ08 |
Ligands and binding sites
- T2R · (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate · ligand · chains A, B
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6VOE · HIV-1 wild type protease with GRL-019-17A, a tricyclic cyclohexane fused… · 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 Q5RZ08
- Elsewhere: RCSB PDB 6VOE · PDBe 6VOE · UniProt Q5RZ08
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