MolNFT v1 · #104858 · protein
Crystal structure of a semisweet in an occluded state
4QNC · Chemical transport protein: “Crystal structure of a semisweet in an occluded state”. X-ray diffraction, 1 ligand (MYS), 1 pocket (best druggability 0.80). MolNFT v1 #104858 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4QNC
- Type
- protein
- Length
- 163 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chemical transport protein
- UniProt
- B0SR19
- Ligands
- MYS
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 83% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chemical transport protein | protein | 81 | 84% helix, 0% strand | B0SR19 |
| B | Chemical transport protein | protein | 82 | 83% helix, 0% strand | B0SR19 |
Ligands and binding sites
- MYS · Pentadecane · ligand · 4 copies · chains A, B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 4 copies · chains A, B
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 | 107 | 0.80 | 0.98 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1941 Ų buried · 27 hydrogen bonds · protein-protein
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 B0SR19
- Elsewhere: RCSB PDB 4QNC · PDBe 4QNC · UniProt B0SR19
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