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MolNFT v1 · #83562 · protein

Crystal structure of an inward-facing eukaryotic ABC multitrug transporter G277V/A278V/A279V mutant

3WMF · ATP-binding cassette, sub-family B, member 1: “Crystal structure of an inward-facing eukaryotic ABC multitrug transporter G277V/A278V/A279V mutant”. X-ray diffraction, 7 pockets (best druggability 0.62). MolNFT v1 #83562 on…

PDB
3WMF
Type
protein
Length
588 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-binding cassette, sub-family B, member 1
UniProt
M1VAN7
Pockets
7 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP-binding cassette, sub-family B, member 1protein58865% helix, 11% strandM1VAN7

Ligands and binding sites

  • DMU · Decyl-beta-D-maltopyranoside · additive · chains A

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13630.620.7845empty
21260.540.8228empty
31780.490.7731empty
41910.470.7520empty
5610.450.8212empty

Compared structures

  • 3WMF · Crystal structure of an inward-facing eukaryotic ABC multitrug transporter… · the same entry in another collection · chain A against A, TM-score 1.00

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