MolNFT v1 · #86138 · protein
Structure and mechanism of the first inverting alkylsulfatase specific for secondary alkylsulfatases
4AXH · Sec-alkylsulfatase: “Structure and mechanism of the first inverting alkylsulfatase specific for secondary alkylsulfatases”. X-ray diffraction, 2 ligands (ZN, SO4), 20 pockets (best druggability 0.86). MolNFT v1 #86138 on GenesisL1…
- PDB
- 4AXH
- Type
- protein
- Length
- 1,262 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sec-alkylsulfatase
- UniProt
- F8KAY7
- Ligands
- ZN, SO4
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sec-alkylsulfatase | protein | 631 | 42% helix, 17% strand | F8KAY7 |
| B | Sec-alkylsulfatase | protein | 631 | 42% helix, 17% strand | F8KAY7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 532 | 0.86 | 0.92 | 38 | empty |
| 2 | 246 | 0.83 | 0.95 | 37 | SO4 |
| 3 | 1043 | 0.83 | 0.84 | 92 | empty |
| 4 | 416 | 0.69 | 0.81 | 32 | empty |
| 5 | 499 | 0.68 | 0.79 | 39 | empty |
Interfaces
1 interface between chains.
- A–B · 5056 Ų buried · 77 hydrogen bonds · protein-protein
Compared structures
- 4AXH · Structure and mechanism of the first inverting alkylsulfatase specific for secondary… · 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 F8KAY7
- Elsewhere: RCSB PDB 4AXH · PDBe 4AXH · UniProt F8KAY7
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