MolNFT v1 · #138010 · protein
HIV protease (pr) in open form with MG2+ in active site and hive-9 in eye site
5W5W: “HIV protease (pr) in open form with MG2+ in active site and hive-9 in eye site”. X-ray diffraction, 2 ligands (3TL, HV9). MolNFT v1 #138010 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5W5W
- Type
- protein
- Length
- 198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q8Q8V9
- Ligands
- 3TL, HV9
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 99 | — | Q8Q8V9 |
Ligands and binding sites
- 3TL · benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate · ligand · chains A, B
- HV9 · 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5W5W · HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site · 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 Q8Q8V9
- Elsewhere: RCSB PDB 5W5W · PDBe 5W5W · UniProt Q8Q8V9
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