MolNFT v1 · #17791 · protein
Structure of human placental ESTRONE/DHEA sulfatase
1P49 · Steryl-sulfatase: “Structure of human placental ESTRONE/DHEA sulfatase”. X-ray diffraction, 3 ligands (NAG, CA, PO4), 6 pockets (best druggability 0.75). MolNFT v1 #17791 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1P49
- Type
- protein
- Length
- 549 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Steryl-sulfatase
- EC
- 3.1.6.2
- UniProt
- P08842
- Ligands
- NAG, CA, PO4
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Steryl-sulfatase (EC 3.1.6.2) | protein | 549 | 31% helix, 14% strand | P08842 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- CA · Calcium ion · metal · chains A
- PO4 · Phosphate ion · ion · chains A
- BOG · octyl beta-D-glucopyranoside · additive · 2 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 507 | 0.75 | 0.83 | 56 | empty |
| 2 | 85 | 0.38 | 0.77 | 15 | empty |
| 3 | 56 | 0.33 | 0.77 | 16 | empty |
| 4 | 58 | 0.33 | 0.77 | 21 | empty |
| 5 | 57 | 0.29 | 0.75 | 14 | empty |
Modifications
Observed in the structure: 6 disulfide, 2 glycan, 1 modified (disulfide, N-glycosylation, nonstandard).
Compared structures
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 P08842
- Elsewhere: RCSB PDB 1P49 · PDBe 1P49 · UniProt P08842
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