Research workbench
HIV-1 protease mutant I47V complexed with reaction intermediate
Analyse HIV-1 protease mutant I47V complexed with reaction intermediate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FLG
- Type
- protein
- Length
- 208 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HIV-1 protease; HIV-1 protease, fragment
- EC
- 3.4.23.16
- UniProt
- P03367
- Ligands
- GLU, ILE, NA, CL
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | HIV-1 protease (EC 3.4.23.16) | protein | 99 | 7% helix, 55% strand | P03367 |
| C | HIV-1 protease, fragment | protein | 4 | 0% helix, 50% strand | P03367 |
| E | HIV-1 protease, fragment | protein | 3 | 0% helix, 33% strand | P03367 |
| F | HIV-1 protease, fragment | protein | 3 | 0% helix, 33% strand | P03367 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · chains B, A, C, E, F
- ILE · Isoleucine · ligand · chains B, A, C, E, F
- NA · Sodium ion · metal · chains B
- CL · Chloride ion · ion · 4 copies · chains B, A
- GOL · Glycerol · additive · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
10 interfaces between chains.
- B–A · 1874 Ų buried · 39 hydrogen bonds · protein-protein
- A–C · 337 Ų buried · 9 hydrogen bonds · protein-protein
- A–F · 297 Ų buried · 9 hydrogen bonds · protein-protein
- B–E · 276 Ų buried · 8 hydrogen bonds · protein-protein
- C–F · 250 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 covalent (covalent ligand).
Compared structures
- 4FLG · HIV-1 protease mutant I47V complexed with reaction intermediate · the same entry in another collection · chain B against B, 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 4FLG · PDBe 4FLG · UniProt P03367
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