Research workbench
P-glycoprotein mutant-F724A and C952A-with BDE100
Analyse P-glycoprotein mutant-F724A and C952A-with BDE100 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UJR
- Type
- protein
- Length
- 1,182 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 4.1
- Source
- Mus musculus
- Molecule
- ATP-dependent translocase ABCB1
- EC
- 7.6.2.2, 7.6.2.1
- UniProt
- P21447
- Ligands
- 4C8
- Pockets
- 14 · best druggability 0.82
Structure
x-ray diffraction · resolution 4.1 · 1 distinct chain · 62% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-dependent translocase ABCB1 (EC 7.6.2.2, 7.6.2.1) | protein | 1182 | 62% helix, 9% strand | P21447 |
Ligands and binding sites
- 4C8 · 2,4-dibromophenyl 2,4,6-tribromophenyl ether · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 750 | 0.82 | 0.85 | 77 | 4C8 |
| 2 | 298 | 0.64 | 0.80 | 35 | empty |
| 3 | 215 | 0.57 | 0.79 | 25 | empty |
| 4 | 219 | 0.56 | 0.79 | 34 | empty |
| 5 | 50 | 0.56 | 0.90 | 18 | empty |
Compared structures
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 P21447
- Elsewhere: RCSB PDB 6UJR · PDBe 6UJR · UniProt P21447
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