MolNFT v1 · #30293 · protein
Crystal structure of coii hppe in complex with substrate
1ZZB · Hydroxypropylphosphonic acid epoxidase: “Crystal structure of coii hppe in complex with substrate”. X-ray diffraction, 2 ligands (S0H, CO), 5 pockets (best druggability 0.59). MolNFT v1 #30293 on GenesisL1: 3D structure, binding…
- PDB
- 1ZZB
- Type
- protein
- Length
- 374 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxypropylphosphonic acid epoxidase
- EC
- 1.14.-.-
- UniProt
- Q56185
- Ligands
- S0H, CO
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxypropylphosphonic acid epoxidase (EC 1.14.-.-) | protein | 181 | 28% helix, 29% strand | Q56185 |
| B | Hydroxypropylphosphonic acid epoxidase (EC 1.14.-.-) | protein | 193 | 27% helix, 26% strand | Q56185 |
Ligands and binding sites
- S0H · (S)-2-hydroxypropylphosphonic acid · ligand · 2 copies · chains A, B
- CO · Cobalt (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 256 | 0.59 | 0.79 | 38 | S0H |
| 2 | 191 | 0.55 | 0.79 | 33 | CO, S0H |
| 3 | 171 | 0.43 | 0.74 | 30 | empty |
| 4 | 110 | 0.36 | 0.74 | 21 | empty |
| 5 | 52 | 0.31 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1488 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 1ZZB · Crystal Structure of CoII HppE in Complex with Substrate · the same entry in another collection · chain A against A, TM-score 1.00
- Q56185 · AlphaFold monomer V2.0 prediction for (S)-2-hydroxypropylphosphonic acid epoxidase… · a predicted model of the same protein · chain B against A, TM-score 0.91
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 Q56185
- Elsewhere: RCSB PDB 1ZZB · PDBe 1ZZB · UniProt Q56185
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.