Research workbench
Nanodisc reconstituted human ABCB1 in complex with UIC2 Fab and taxol
Analyse Nanodisc reconstituted human ABCB1 in complex with UIC2 Fab and taxol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6QEX
- Type
- protein
- Length
- 1,627 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug resistance protein 1; UIC2 Fab lightchain; UIC2 Fab heavy chain
- EC
- 7.6.2.2
- UniProt
- P08183
- Ligands
- CLR, 3PE, TA1, NAG
- Pockets
- 20 · best druggability 0.89
Structure
electron microscopy · 3 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multidrug resistance protein 1 (EC 7.6.2.2) | protein | 1182 | 61% helix, 8% strand | P08183 |
| B | UIC2 Fab lightchain | protein | 220 | 4% helix, 37% strand | — |
| C | UIC2 Fab heavy chain | protein | 225 | 3% helix, 44% strand | — |
Ligands and binding sites
- CLR · Cholesterol · ligand · 16 copies · chains A
- 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · ligand · 2 copies · chains A
- TA1 · Taxol · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1030 | 0.89 | 0.90 | 102 | TA1 |
| 2 | 476 | 0.76 | 0.84 | 52 | empty |
| 3 | 51 | 0.73 | 0.98 | 15 | empty |
| 4 | 50 | 0.69 | 0.97 | 20 | empty |
| 5 | 521 | 0.65 | 0.77 | 55 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2047 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 860 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 271 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 6QEX · Nanodisc reconstituted human ABCB1 in complex with UIC2 fab and taxol · the same entry in another collection · chain B against B, TM-score 1.00
- P08183 · AlphaFold monomer V2.0 prediction for ATP-dependent translocase ABCB1 (P08183) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 P08183
- Elsewhere: RCSB PDB 6QEX · PDBe 6QEX · UniProt P08183
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