MolNFT v1 · #151159 · protein
Outward-facing conformation of a multidrug resistance mate family transporter of the mop superfamily.
6HFB · Uncharacterized protein: “Outward-facing conformation of a multidrug resistance mate family transporter of the mop superfamily.”. X-ray diffraction, 1 ligand (CS), 20 pockets (best druggability 0.88). MolNFT v1 #151159 on GenesisL1…
- PDB
- 6HFB
- Type
- protein
- Length
- 1,808 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q8U2X0
- Ligands
- CS
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 4 distinct chains · 84% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 453 | 84% helix, 0% strand | Q8U2X0 |
| B | Uncharacterized protein | protein | 453 | 84% helix, 0% strand | Q8U2X0 |
| C | Uncharacterized protein | protein | 451 | 84% helix, 0% strand | Q8U2X0 |
| D | Uncharacterized protein | protein | 451 | 84% helix, 0% strand | Q8U2X0 |
Ligands and binding sites
- CS · Cesium ion · metal · 12 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1043 | 0.88 | 0.89 | 93 | CS |
| 2 | 956 | 0.87 | 0.88 | 86 | CS |
| 3 | 1010 | 0.86 | 0.87 | 79 | empty |
| 4 | 1074 | 0.85 | 0.85 | 80 | CS |
| 5 | 718 | 0.79 | 0.83 | 71 | empty |
Interfaces
5 interfaces between chains.
- B–C · 1379 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 1242 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 801 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 317 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 101 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6HFB · Outward-facing conformation of a multidrug resistance MATE family transporter of the MOP… · 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 Q8U2X0
- Elsewhere: RCSB PDB 6HFB · PDBe 6HFB · UniProt Q8U2X0
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