MolNFT v1 · #107871 · protein
Dimeric sulfatase SPAS1 from silicibacter pomeroyi
4UPI · Sulfatase family protein: “Dimeric sulfatase SPAS1 from silicibacter pomeroyi”. X-ray diffraction, 1 ligand (ZN), 8 pockets (best druggability 0.55). MolNFT v1 #107871 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UPI
- Type
- protein
- Length
- 548 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfatase family protein
- UniProt
- Q5LLA5
- Ligands
- ZN
- Pockets
- 8 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfatase family protein | protein | 548 | 42% helix, 15% strand | Q5LLA5 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.55 | 0.85 | 26 | empty |
| 2 | 146 | 0.44 | 0.76 | 21 | empty |
| 3 | 140 | 0.44 | 0.76 | 18 | empty |
| 4 | 102 | 0.42 | 0.78 | 18 | empty |
| 5 | 62 | 0.41 | 0.81 | 15 | empty |
Modifications
Observed in the structure: 1 modified (nonstandard).
Compared structures
- 4UPI · Dimeric sulfatase SpAS1 from Silicibacter pomeroyi · the same entry in another collection · chain A against A, TM-score 1.00
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 Q5LLA5
- Elsewhere: RCSB PDB 4UPI · PDBe 4UPI · UniProt Q5LLA5
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