MolNFT v1 · #110378 · protein
The HSAC2 domain from human phosphoinositide phosphatase SAC2
4XUU · Phosphatidylinositide phosphatase SAC2: “The HSAC2 domain from human phosphoinositide phosphatase SAC2”. X-ray diffraction, 17 pockets (best druggability 0.76). MolNFT v1 #110378 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4XUU
- Type
- protein
- Length
- 671 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositide phosphatase SAC2
- EC
- 3.1.3.-
- UniProt
- Q9Y2H2
- Pockets
- 17 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Phosphatidylinositide phosphatase SAC2 (EC 3.1.3.-) | protein | 169 | 21% helix, 37% strand | Q9Y2H2 |
| C | Phosphatidylinositide phosphatase SAC2 (EC 3.1.3.-) | protein | 164 | 23% helix, 35% strand | Q9Y2H2 |
Pockets
17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 404 | 0.76 | 0.86 | 54 | empty |
| 2 | 383 | 0.71 | 0.83 | 46 | empty |
| 3 | 252 | 0.63 | 0.81 | 37 | empty |
| 4 | 383 | 0.61 | 0.77 | 40 | empty |
| 5 | 233 | 0.61 | 0.81 | 21 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1922 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1879 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 492 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 99 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 89 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified, 6 disulfide (engineered, disulfide).
Compared structures
- 4XUU · The hSac2 domain from human phosphoinositide phosphatase Sac2 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y2H2 · AlphaFold monomer V2.0 prediction for phosphatidylinositide phosphatase SAC2 (Q9Y2H2) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9Y2H2
- Elsewhere: RCSB PDB 4XUU · PDBe 4XUU · UniProt Q9Y2H2
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