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Structure of ABCB1/P-glycoprotein in the presence of the cftr potentiator ivacaftor

Analyse Structure of ABCB1/P-glycoprotein in the presence of the cftr potentiator… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7OTG
Type: protein
Length: 1,179 residues
Chains: 1
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Multidrug resistance protein 1A
EC: 3.6.3.44
UniProt: P21447
Ligands: VX7
Pockets: 11 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 61% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Multidrug resistance protein 1A (EC 3.6.3.44)	protein	1179	61% helix, 8% strand	P21447

Ligands and binding sites

VX7 · N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1044	0.84	0.84	94	empty
2	322	0.70	0.83	25	empty
3	135	0.66	0.88	31	empty
4	461	0.64	0.77	43	empty
5	202	0.58	0.80	32	empty

Compared structures

7OTG · Structure of ABCB1/P-glycoprotein in the presence of the CFTR potentiator ivacaftor · 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 7OTG · PDBe 7OTG · UniProt P21447

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