Research workbench
Crystal structure of mhst in complex with L-4F-phenylalanine
Analyse Crystal structure of mhst in complex with L-4F-phenylalanine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6YU4
- Type
- protein
- Length
- 442 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sodium-dependent transporter
- UniProt
- A0A4Y7X244
- Ligands
- SOG, PFF, PCW, NA
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sodium-dependent transporter | protein | 442 | 75% helix, 0% strand | A0A4Y7X244 |
Ligands and binding sites
- SOG · octyl 1-thio-beta-D-glucopyranoside · ligand · 2 copies · chains A
- PFF · 4-fluoro-L-phenylalanine · ligand · chains A
- PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- LMT · Dodecyl-beta-D-maltoside · additive · 6 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 | 54 | 0.72 | 0.99 | 20 | PFF |
| 2 | 145 | 0.61 | 0.85 | 31 | empty |
| 3 | 123 | 0.45 | 0.78 | 17 | empty |
| 4 | 96 | 0.42 | 0.77 | 15 | empty |
| 5 | 56 | 0.27 | 0.73 | 15 | empty |
Compared structures
- 6YU4 · Crystal structure of MhsT in complex with L-4F-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 6YU4 · PDBe 6YU4 · UniProt A0A4Y7X244
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