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MolNFT v1 · #58580 · protein

Crystal structure of yeast SEC14 homolog SFH1 in complex with phosphatidylcholine or phosphatidylinositol

3B7Z · Uncharacterized protein YKL091C: “Crystal structure of yeast SEC14 homolog SFH1 in complex with phosphatidylcholine or phosphatidylinositol”. X-ray diffraction, 2 ligands (B7N, 6PL), 3 pockets (best druggability 0.86). MolNFT v1…

PDB
3B7Z
Type
protein
Length
307 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein YKL091C
UniProt
P33324
Ligands
B7N, 6PL
Pockets
3 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized protein YKL091Cprotein30752% helix, 11% strandP33324

Ligands and binding sites

  • B7N · (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate · ligand · chains A
  • 6PL · (4S,7R)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16900.860.8974B7N, 6PL
22700.640.8135empty
32340.570.7922empty

Compared structures

  • 3B7Z · Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylcholine or… · the same entry in another collection · chain A against A, TM-score 1.00
  • P33324 · AlphaFold monomer V2.0 prediction for cral-trio domain-containing protein YKL091C (P33324) · a predicted model of the same protein · chain A against A, TM-score 0.99

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