MolNFT v1 · #144964 · protein
Crystal structure of a ligand bound LACY/NANOBODY complex
6C9W · Lactose permease: “Crystal structure of a ligand bound LACY/NANOBODY complex”. X-ray diffraction, 2 ligands (9PG, BNG), 1 pocket (best druggability 0.87). MolNFT v1 #144964 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6C9W
- Type
- protein
- Length
- 521 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lactose permease; NANOBODY9047
- UniProt
- P02920
- Ligands
- 9PG, BNG
- Pockets
- 1 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lactose permease | protein | 396 | 80% helix, 0% strand | P02920 |
| B | NANOBODY9047 | protein | 125 | 5% helix, 43% strand | — |
Ligands and binding sites
- 9PG · 4-nitrophenyl alpha-D-galactopyranoside · ligand · chains A
- BNG · nonyl beta-D-glucopyranoside · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1161 | 0.87 | 0.88 | 94 | 9PG |
Interfaces
1 interface between chains.
- A–B · 865 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
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 P02920
- Elsewhere: RCSB PDB 6C9W · PDBe 6C9W · UniProt P02920
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