MolNFT v1 · #92268 · protein
Crystal structure of the hyperthermophilic sulfolobus islandicus pll sislac
4G2D · Aryldialkylphosphatase: “Crystal structure of the hyperthermophilic sulfolobus islandicus pll sislac”. X-ray diffraction, 2 ligands (CO, FE2), 3 pockets (best druggability 0.68). MolNFT v1 #92268 on GenesisL1: 3D structure, binding…
- PDB
- 4G2D
- Type
- protein
- Length
- 314 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aryldialkylphosphatase
- EC
- 3.1.8.1
- UniProt
- C4KKZ9
- Ligands
- CO, FE2
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aryldialkylphosphatase (EC 3.1.8.1) | protein | 314 | 44% helix, 11% strand | C4KKZ9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 281 | 0.68 | 0.83 | 45 | empty |
| 2 | 73 | 0.33 | 0.75 | 14 | empty |
| 3 | 54 | 0.31 | 0.76 | 17 | empty |
Modifications
Observed in the structure: 1 modified (carboxylation).
Compared structures
- 4G2D · Crystal structure of the hyperthermophilic Sulfolobus islandicus PLL SisLac · 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 C4KKZ9
- Elsewhere: RCSB PDB 4G2D · PDBe 4G2D · UniProt C4KKZ9
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