MolNFT v1 · #172940 · protein
Crystal structure of PSFUCS1 sulfatase from pseudoalteromonas sp.
7AJ0 · Arylsulfatase: “Crystal structure of PSFUCS1 sulfatase from pseudoalteromonas sp.”. X-ray diffraction, 2 ligands (CA, CL), 20 pockets (best druggability 0.86). MolNFT v1 #172940 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7AJ0
- Type
- protein
- Length
- 3,006 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arylsulfatase
- Ligands
- CA, CL
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Arylsulfatase | protein | 501 | 35% helix, 20% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A, B, C, D, E, F
- CL · Chloride ion · ion · 12 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 916 | 0.86 | 0.87 | 97 | empty |
| 2 | 809 | 0.85 | 0.88 | 83 | empty |
| 3 | 869 | 0.85 | 0.87 | 91 | empty |
| 4 | 869 | 0.81 | 0.83 | 74 | empty |
| 5 | 838 | 0.81 | 0.84 | 76 | empty |
Interfaces
12 interfaces between chains.
- B–F · 1563 Ų buried · 20 hydrogen bonds · protein-protein
- C–E · 1558 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 1537 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1345 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1330 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 7AJ0 · Crystal structure of PsFucS1 sulfatase from Pseudoalteromonas sp. · 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
- Elsewhere: RCSB PDB 7AJ0 · PDBe 7AJ0
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