MolNFT v1 · #171121 · protein
Crystal structure of mhst in complex with L-phenylalanine
6YU3 · Sodium-dependent transporter: “Crystal structure of mhst in complex with L-phenylalanine”. X-ray diffraction, 3 ligands (SOG, PHE, NA), 6 pockets (best druggability 0.62). MolNFT v1 #171121 on GenesisL1: 3D structure, binding sites…
- PDB
- 6YU3
- Type
- protein
- Length
- 441 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sodium-dependent transporter
- UniProt
- A0A4Y7X244
- Ligands
- SOG, PHE, NA
- Pockets
- 6 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sodium-dependent transporter | protein | 441 | 76% helix, 0% strand | A0A4Y7X244 |
Ligands and binding sites
- SOG · octyl 1-thio-beta-D-glucopyranoside · ligand · 2 copies · chains A
- PHE · Phenylalanine · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- LMT · Dodecyl-beta-D-maltoside · additive · 4 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.62 | 0.82 | 38 | empty |
| 2 | 140 | 0.45 | 0.77 | 17 | empty |
| 3 | 95 | 0.41 | 0.77 | 14 | empty |
| 4 | 54 | 0.31 | 0.76 | 16 | empty |
| 5 | 55 | 0.30 | 0.76 | 11 | empty |
Compared structures
- 6YU3 · Crystal structure of MhsT in complex with L-phenylalanine · 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 A0A4Y7X244
- Elsewhere: RCSB PDB 6YU3 · PDBe 6YU3 · UniProt A0A4Y7X244
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