MolNFT v1 · #113572 · protein
Sdsa sulfatase tetragonal
5AJL · Alkyl sulfatase: “Sdsa sulfatase tetragonal”. X-ray diffraction, 1 ligand (ZN), 12 pockets (best druggability 0.87). MolNFT v1 #113572 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AJL
- Type
- protein
- Length
- 1,260 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkyl sulfatase
- UniProt
- V9UAA9
- Ligands
- ZN
- Pockets
- 12 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alkyl sulfatase | protein | 630 | 42% helix, 16% strand | V9UAA9 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 772 | 0.87 | 0.90 | 77 | empty |
| 2 | 1066 | 0.79 | 0.80 | 95 | ZN |
| 3 | 1138 | 0.79 | 0.80 | 99 | empty |
| 4 | 518 | 0.70 | 0.79 | 37 | empty |
| 5 | 534 | 0.69 | 0.79 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 5363 Ų buried · 90 hydrogen bonds · protein-protein
Compared structures
- 5AJL · Sdsa sulfatase tetragonal · 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 V9UAA9
- Elsewhere: RCSB PDB 5AJL · PDBe 5AJL · UniProt V9UAA9
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