MolNFT v1 · #78139 · protein
Structure of hydroxyethylphoshphonate dioxygenase Y98F mutant
3RZZ · Hydroxyethylphoshphonate dioxygenase (phpd): “Structure of hydroxyethylphoshphonate dioxygenase Y98F mutant”. X-ray diffraction, 1 ligand (CD), 6 pockets (best druggability 0.50). MolNFT v1 #78139 on GenesisL1: 3D structure, binding…
- PDB
- 3RZZ
- Type
- protein
- Length
- 421 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxyethylphoshphonate dioxygenase (phpd)
- UniProt
- Q5IW40
- Ligands
- CD
- Pockets
- 6 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxyethylphoshphonate dioxygenase (phpd) | protein | 421 | 31% helix, 27% strand | Q5IW40 |
Ligands and binding sites
- CD · Cadmium ion · metal · 15 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 181 | 0.50 | 0.77 | 29 | empty |
| 2 | 133 | 0.48 | 0.78 | 19 | CD |
| 3 | 89 | 0.41 | 0.78 | 21 | empty |
| 4 | 102 | 0.39 | 0.76 | 24 | empty |
| 5 | 62 | 0.33 | 0.76 | 19 | empty |
Compared structures
- 3RZZ · Structure of Hydroxyethylphoshphonate Dioxygenase Y98F Mutant · the same entry in another collection · chain A against A, TM-score 1.00
- Q5IW40 · AlphaFold monomer V2.0 prediction for 2-hydroxyethylphosphonate dioxygenase (Q5IW40) · a predicted model of the same protein · chain A 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 Q5IW40
- Elsewhere: RCSB PDB 3RZZ · PDBe 3RZZ · UniProt Q5IW40
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