MolNFT v1 · #161236 · protein
Structure of P-GLYCOPROTEIN(ABCB1) in the post-hydrolytic state
6Q81 · P-glycoprotein (ABCB1): “Structure of P-GLYCOPROTEIN(ABCB1) in the post-hydrolytic state”. Electron microscopy, 1 ligand (ADP), 18 pockets (best druggability 0.82). MolNFT v1 #161236 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6Q81
- Type
- protein
- Length
- 1,182 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P-glycoprotein (ABCB1)
- UniProt
- P21447
- Ligands
- ADP
- Pockets
- 18 · best druggability 0.82
Structure
electron microscopy · 1 distinct chain · 61% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P-glycoprotein (ABCB1) | protein | 1182 | 61% helix, 8% strand | P21447 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 879 | 0.82 | 0.83 | 99 | empty |
| 2 | 162 | 0.73 | 0.90 | 25 | empty |
| 3 | 273 | 0.72 | 0.86 | 39 | empty |
| 4 | 76 | 0.71 | 0.96 | 17 | empty |
| 5 | 71 | 0.70 | 0.95 | 20 | empty |
Compared structures
- 6Q81 · Structure of P-glycoprotein(ABCB1) in the post-hydrolytic state · 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 P21447
- Elsewhere: RCSB PDB 6Q81 · PDBe 6Q81 · UniProt P21447
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