MolNFT v1 · #8863 · protein
Arylsulfatase from pseudomonas aeruginosa
1HDH: “Arylsulfatase from pseudomonas aeruginosa”. X-ray diffraction, 2 ligands (CA, SO4), 9 pockets (best druggability 0.69). MolNFT v1 #8863 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1HDH
- Type
- protein
- Length
- 1,050 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arylsulfatase
- EC
- 3.1.6.1
- UniProt
- P51691
- Ligands
- CA, SO4
- Pockets
- 9 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Arylsulfatase (EC 3.1.6.1) | protein | 525 | 34% helix, 15% strand | P51691 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 301 | 0.69 | 0.84 | 45 | empty |
| 2 | 406 | 0.68 | 0.80 | 40 | SO4 |
| 3 | 409 | 0.68 | 0.80 | 37 | SO4 |
| 4 | 332 | 0.64 | 0.79 | 28 | SO4 |
| 5 | 291 | 0.62 | 0.79 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 466 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (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 P51691
- Elsewhere: RCSB PDB 1HDH · PDBe 1HDH · UniProt P51691
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