MolNFT v1 · #149767 · protein
Crystal structure of a mfs transporter at 2.54 angstroem resolution
6G9X · Major facilitator superfamily MFS_1: “Crystal structure of a mfs transporter at 2.54 angstroem resolution”. X-ray diffraction, 3 ligands (BNG, JKE, HG), 7 pockets (best druggability 0.76). MolNFT v1 #149767 on GenesisL1: 3D…
- PDB
- 6G9X
- Type
- protein
- Length
- 764 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major facilitator superfamily MFS_1
- UniProt
- A0LNN5
- Ligands
- BNG, JKE, HG
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 84% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major facilitator superfamily MFS_1 | protein | 396 | 81% helix, 1% strand | A0LNN5 |
| B | Major facilitator superfamily MFS_1 | protein | 368 | 86% helix, 0% strand | A0LNN5 |
Ligands and binding sites
- BNG · nonyl beta-D-glucopyranoside · ligand · 6 copies · chains A, B
- JKE · 2-sulfanylbenzoic acid · ligand · 2 copies · chains A, B
- HG · Mercury (II) ion · metal · 12 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 742 | 0.76 | 0.81 | 46 | HG, JKE, BNG |
| 2 | 686 | 0.74 | 0.80 | 53 | HG, JKE, EPE |
| 3 | 751 | 0.72 | 0.77 | 58 | HG, BNG |
| 4 | 240 | 0.49 | 0.74 | 28 | empty |
| 5 | 92 | 0.48 | 0.81 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 383 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6G9X · Crystal structure of a MFS transporter at 2.54 Angstroem resolution · 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 6G9X · PDBe 6G9X · UniProt A0LNN5
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