MolNFT v1 · #97886 · protein

Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain

4KSD · Multidrug resistance protein 1A: “Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding…”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #97886 on GenesisL1…

PDB: 4KSD
Type: protein
Length: 1,300 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Multidrug resistance protein 1A; R2 protein
EC: 3.6.3.44
UniProt: P21447
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 55% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Multidrug resistance protein 1A (EC 3.6.3.44)	protein	1182	60% helix, 8% strand	P21447
B	R2 protein	protein	118	0% helix, 38% strand	—

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	789	0.84	0.86	114	empty
2	373	0.73	0.84	53	empty
3	330	0.71	0.83	43	empty
4	247	0.65	0.82	38	empty
5	72	0.60	0.89	24	empty

Interfaces

1 interface between chains.

A–B · 916 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4KSD · Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the… · 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 4KSD · PDBe 4KSD · UniProt P21447

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