Research workbench
Gut microbial sulfatase from hungatella hathewayi
Analyse Gut microbial sulfatase from hungatella hathewayi in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UST
- Type
- protein
- Length
- 1,852 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetylgalactosamine 6-sulfate sulfatase
- EC
- 3.1.6.1
- UniProt
- A0A174CV66
- Ligands
- CA
- Pockets
- 19 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | N-acetylgalactosamine 6-sulfate sulfatase (EC 3.1.6.1) | protein | 463 | 30% helix, 18% strand | A0A174CV66 |
| C | N-acetylgalactosamine 6-sulfate sulfatase (EC 3.1.6.1) | protein | 464 | 29% helix, 18% strand | A0A174CV66 |
| D | N-acetylgalactosamine 6-sulfate sulfatase (EC 3.1.6.1) | protein | 462 | 30% helix, 18% strand | A0A174CV66 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 568 | 0.71 | 0.80 | 50 | empty |
| 2 | 526 | 0.70 | 0.79 | 64 | empty |
| 3 | 223 | 0.63 | 0.83 | 26 | empty |
| 4 | 194 | 0.53 | 0.78 | 22 | empty |
| 5 | 223 | 0.52 | 0.77 | 22 | empty |
Interfaces
4 interfaces between chains.
- A–C · 893 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 520 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 385 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 91 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6UST · Gut microbial sulfatase from Hungatella hathewayi · 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 A0A174CV66
- Elsewhere: RCSB PDB 6UST · PDBe 6UST · UniProt A0A174CV66
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