MolNFT v1 · #190354 · protein
Crystal structure of saccharomyces cerevisiae SFH2 complexed with phosphatidylinositol in an open conformation
7WWG · Phosphatidylinositol transfer protein CSR1: “Crystal structure of saccharomyces cerevisiae SFH2 complexed with phosphatidylinositol in an open conformation”. X-ray diffraction, 1 ligand (B7N), 6 pockets (best druggability 0.79).…
- PDB
- 7WWG
- Type
- protein
- Length
- 357 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol transfer protein CSR1
- UniProt
- Q06705
- Ligands
- B7N
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol transfer protein CSR1 | protein | 357 | 54% helix, 9% strand | Q06705 |
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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 712 | 0.79 | 0.82 | 54 | B7N |
| 2 | 134 | 0.78 | 0.96 | 30 | empty |
| 3 | 350 | 0.55 | 0.74 | 39 | empty |
| 4 | 131 | 0.48 | 0.78 | 25 | empty |
| 5 | 101 | 0.42 | 0.77 | 10 | empty |
Compared structures
- 7WWG · Crystal structure of Saccharomyces cerevisiae Sfh2 complexed with phosphatidylinositol in… · the same entry in another collection · chain A against A, TM-score 1.00
- Q06705 · AlphaFold monomer V2.0 prediction for phosphatidylinositol transfer protein CSR1 (Q06705) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q06705
- Elsewhere: RCSB PDB 7WWG · PDBe 7WWG · UniProt Q06705
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