MolNFT v1 · #171794 · protein
Crystal structure of a mfs transporter with bound 3-(2-methylphenyl) propanoic acid at 2.41 angstroem resolution
6ZGU · L-lactate transporter: “Crystal structure of a mfs transporter with bound 3-(2-methylphenyl) propanoic acid at 2.41 angstroem…”. X-ray diffraction, 1 ligand (02Q), 4 pockets (best druggability 0.75). MolNFT v1 #171794 on GenesisL1…
- PDB
- 6ZGU
- Type
- protein
- Length
- 768 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-lactate transporter
- UniProt
- A0LNN5
- Ligands
- 02Q
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 83% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-lactate transporter | protein | 404 | 81% helix, 1% strand | A0LNN5 |
| B | L-lactate transporter | protein | 364 | 87% helix, 0% strand | A0LNN5 |
Ligands and binding sites
- 02Q · 3-(2-methylphenyl)propanoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 692 | 0.75 | 0.80 | 46 | 02Q |
| 2 | 1019 | 0.75 | 0.77 | 83 | empty |
| 3 | 659 | 0.74 | 0.80 | 47 | 02Q |
| 4 | 102 | 0.42 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 426 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6ZGU · Crystal structure of a MFS transporter with bound 3-(2-methylphenyl)propanoic acid at… · the same entry in another collection · chain A against A, TM-score 1.00
- A0LNN5 · AlphaFold monomer V2.0 prediction for L-lactate transporter (A0LNN5) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 A0LNN5
- Elsewhere: RCSB PDB 6ZGU · PDBe 6ZGU · UniProt A0LNN5
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