MolNFT v1 · #29974 · protein
HIV protease with inhibitor ab-2
1ZP8 · Pol polyprotein: “HIV protease with inhibitor ab-2”. X-ray diffraction, 1 ligand (AB2), 2 pockets (best druggability 0.48). MolNFT v1 #29974 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1ZP8
- Type
- protein
- Length
- 99 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pol polyprotein
- EC
- 3.4.23.16
- UniProt
- P03368
- Ligands
- AB2
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pol polyprotein (EC 3.4.23.16) | protein | 99 | 4% helix, 49% strand | P03368 |
Ligands and binding sites
- AB2 · [1-((1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1H-1,2,3-triazol-4-yl]methyl (1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-ylcarbamate · 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 | 153 | 0.48 | 0.77 | 20 | empty |
| 2 | 51 | 0.26 | 0.74 | 18 | empty |
Compared structures
- 1ZP8 · HIV Protease with inhibitor AB-2 · 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 P03368
- Elsewhere: RCSB PDB 1ZP8 · PDBe 1ZP8 · UniProt P03368
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