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MolNFT v1 · #184195 · protein

Cryo-EM structure of DRS2P-CDC50P in the [PS]E2-alfx state

7OH6 · Probable phospholipid-transporting ATPase DRS2,PROBABLE…: “Cryo-EM structure of DRS2P-CDC50P in the [PS]E2-alfx state”. Electron microscopy, 6 ligands (2Y5, ALF, Q3G), 17 pockets (best druggability 0.82). MolNFT v1 #184195 on…

PDB
7OH6
Type
protein
Length
1,414 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable phospholipid-transporting ATPase DRS2,PROBABLE phospholipid-transporting ATPase…
EC
7.6.2.1
UniProt
P39524, P25656
Ligands
2Y5, ALF, Q3G, NAG, BMA, MG
Pockets
17 · best druggability 0.82

Structure

electron microscopy · 2 distinct chains · 40% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable phospholipid-transporting ATPase DRS2,PROBABLE phospholipid-transporting ATPase DRS2 (EC 7.6.2.1)protein106445% helix, 17% strandP39524
CCell division control protein 50protein35025% helix, 20% strandP25656

Ligands and binding sites

  • 2Y5 · (2R)-1-{[(R)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy) cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy) propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate · ligand · chains A
  • ALF · Tetrafluoroaluminate ion · ligand · chains A
  • Q3G · O-[(R)-[(2S)-2-(hexadecanoyloxy)-3-(octadecanoyloxy) propoxy](hydroxy)phosphoryl]-D-serine · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains C
  • BMA · beta-D-mannopyranose · sugar
  • MG · Magnesium ion · metal · chains A

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

Pockets

17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110580.820.8381empty
27930.780.8269empty
38570.770.8058empty
4790.740.9826empty
56880.730.7985empty

Interfaces

1 interface between chains.

  • A–C · 4613 Ų buried · 45 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 glycan, 2 disulfide (N-glycosylation, disulfide).

Compared structures

  • 7OH6 · Cryo-EM structure of Drs2p-Cdc50p in the [PS]E2-AlFx state · the same entry in another collection · chain C against C, TM-score 1.00
  • P25656 · AlphaFold monomer V2.0 prediction for cell division control protein 50 (P25656) · a predicted model of the same protein · chain C against A, TM-score 0.97
  • P39524 · AlphaFold monomer V2.0 prediction for probable phospholipid- transporting ATPase DRS2… · a predicted model of the same protein · chain A against A, TM-score 0.88

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