Research workbench
HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate
Analyse HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FL8
- Type
- protein
- Length
- 212 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HIV-1 protease; Heptapeptide
- EC
- 3.4.23.16
- UniProt
- P03367
- Ligands
- CL
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | HIV-1 protease (EC 3.4.23.16) | protein | 99 | 7% helix, 56% strand | P03367 |
| C | Heptapeptide | protein | 7 | 0% helix, 71% strand | — |
| D | Heptapeptide | protein | 7 | 0% helix, 71% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 5 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, D, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
6 interfaces between chains.
- A–B · 1843 Ų buried · 36 hydrogen bonds · protein-protein
- B–D · 502 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 472 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 466 Ų buried · 43 hydrogen bonds · protein-protein
- A–C · 464 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 4FL8 · HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate · 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 4FL8 · PDBe 4FL8 · UniProt P03367
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