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Crystal structure of the alkylsulfatase atsk, a non-heme FE(II) alphaketoglutarate dependent dioxygenase
Analyse Crystal structure of the alkylsulfatase atsk, a non-heme FE(II)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1OIH
- Type
- protein
- Length
- 995 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative alkylsulfatase atsk
- UniProt
- Q9WWU5
- Ligands
- NA
- Pockets
- 8 · best druggability 0.62
Structure
x-ray diffraction · 4 distinct chains · 23% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative alkylsulfatase atsk | protein | 254 | 22% helix, 30% strand | Q9WWU5 |
| B | Putative alkylsulfatase atsk | protein | 255 | 22% helix, 31% strand | Q9WWU5 |
| C | Putative alkylsulfatase atsk | protein | 242 | 23% helix, 31% strand | Q9WWU5 |
| D | Putative alkylsulfatase atsk | protein | 244 | 24% helix, 31% strand | Q9WWU5 |
Ligands and binding sites
- NA · Sodium 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
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 261 | 0.62 | 0.81 | 28 | empty |
| 2 | 278 | 0.62 | 0.80 | 31 | empty |
| 3 | 204 | 0.61 | 0.82 | 35 | empty |
| 4 | 204 | 0.60 | 0.81 | 29 | empty |
| 5 | 194 | 0.56 | 0.80 | 32 | NA |
Interfaces
6 interfaces between chains.
- A–D · 880 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 874 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 691 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 691 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 37 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1OIH · Crystal structure of the alkylsulfatase AtsK, a non-heme Fe(II) alphaketoglutarate… · the same entry in another collection · chain D against D, TM-score 1.00
- Q9WWU5 · AlphaFold monomer V2.0 prediction for alpha-ketoglutarate-dependent sulfate ester… · a predicted model of the same protein · chain C against A, TM-score 0.99
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 Q9WWU5
- Elsewhere: RCSB PDB 1OIH · PDBe 1OIH · UniProt Q9WWU5
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