MolNFT v1 · #107951 · protein
Crystal structure of the bacterial nss member mhst in an occluded inward-facing state
4US3 · Transporter: “Crystal structure of the bacterial nss member mhst in an occluded inward-facing state”. X-ray diffraction, 4 ligands (LMU, BNG, TRP), 5 pockets (best druggability 0.74). MolNFT v1 #107951 on GenesisL1: 3D structure…
- PDB
- 4US3
- Type
- protein
- Length
- 441 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transporter
- UniProt
- Q9KDT3
- Ligands
- LMU, BNG, TRP, NA
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transporter | protein | 441 | 75% helix, 0% strand | Q9KDT3 |
Ligands and binding sites
- LMU · Dodecyl-alpha-D-maltoside · ligand · 6 copies · chains A
- BNG · nonyl beta-D-glucopyranoside · ligand · 4 copies · chains A
- TRP · Tryptophan · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 61 | 0.74 | 0.99 | 22 | TRP |
| 2 | 152 | 0.62 | 0.85 | 29 | empty |
| 3 | 135 | 0.45 | 0.77 | 18 | empty |
| 4 | 93 | 0.44 | 0.78 | 15 | empty |
| 5 | 52 | 0.34 | 0.78 | 15 | empty |
Compared structures
- 4US3 · Crystal Structure of the bacterial NSS member MhsT in an Occluded Inward-Facing State · 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 Q9KDT3
- Elsewhere: RCSB PDB 4US3 · PDBe 4US3 · UniProt Q9KDT3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.