Research workbench
Crystal structure of feii hppe in complex with substrate form 1
Analyse Crystal structure of feii hppe in complex with substrate form 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZZ7
- Type
- protein
- Length
- 352 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxyprophylphosphonic acid epoxidase
- EC
- 1.14.-.-
- UniProt
- Q56185
- Ligands
- S0H, FE2
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxyprophylphosphonic acid epoxidase (EC 1.14.-.-) | protein | 178 | 24% helix, 27% strand | Q56185 |
| B | Hydroxyprophylphosphonic acid epoxidase (EC 1.14.-.-) | protein | 174 | 28% helix, 28% strand | Q56185 |
Ligands and binding sites
- S0H · (S)-2-hydroxypropylphosphonic acid · ligand · 2 copies · chains A, B
- FE2 · Fe (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.56 | 0.78 | 40 | FE2, S0H |
| 2 | 186 | 0.54 | 0.79 | 25 | S0H |
Interfaces
1 interface between chains.
- A–B · 1426 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1ZZ7 · Crystal Structure of FeII HppE in Complex with Substrate form 1 · 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 0.90
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 1ZZ7 · PDBe 1ZZ7 · UniProt Q56185
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.