Research workbench
2-hydroxyethylphosphonate dioxygenase (hepd) E176H
Analyse 2-hydroxyethylphosphonate dioxygenase (hepd) E176H in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4YAR
- Type
- protein
- Length
- 429 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-hydroxyethylphosphonate dioxygenase
- EC
- 1.13.11.72
- UniProt
- Q5IW40
- Ligands
- CD, NA
- Pockets
- 5 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-hydroxyethylphosphonate dioxygenase (EC 1.13.11.72) | protein | 429 | 29% helix, 27% strand | Q5IW40 |
Ligands and binding sites
- CD · Cadmium ion · metal · 10 copies · chains A
- NA · Sodium ion · metal · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 208 | 0.52 | 0.77 | 32 | NA |
| 2 | 154 | 0.48 | 0.77 | 21 | CD |
| 3 | 102 | 0.45 | 0.79 | 25 | empty |
| 4 | 88 | 0.41 | 0.78 | 19 | empty |
| 5 | 55 | 0.30 | 0.76 | 15 | empty |
Compared structures
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 Q5IW40
- Elsewhere: RCSB PDB 4YAR · PDBe 4YAR · UniProt Q5IW40
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