MolNFT v1 · #104726 · protein
Crystal structure of inactive HIV-1 protease in complex with P1-P6 substrate variant (R452S)
4QJ9: “Crystal structure of inactive HIV-1 protease in complex with P1-P6 substrate variant (R452S)”. X-ray diffraction, 1 ligand (PO4). MolNFT v1 #104726 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QJ9
- Type
- protein
- Length
- 208 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protease; P1-P6 peptide
- EC
- 3.4.23.16
- UniProt
- P03369
- Ligands
- PO4
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protease (EC 3.4.23.16) | protein | 99 | 4% helix, 56% strand | P03369 |
| G | P1-P6 peptide | protein | 10 | 0% helix, 30% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
3 interfaces between chains.
- A–B · 1824 Ų buried · 40 hydrogen bonds · protein-protein
- B–G · 559 Ų buried · 14 hydrogen bonds · protein-protein
- A–G · 471 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4QJ9 · Crystal structure of inactive HIV-1 protease in complex with p1-p6 substrate variant… · 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 P03369
- Elsewhere: RCSB PDB 4QJ9 · PDBe 4QJ9 · UniProt P03369
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