Research workbench
Crystal structure of oxdb E85A in complex with Z-2- (3-bromophenyl) propanal oxime
Analyse Crystal structure of oxdb E85A in complex with Z-2- (3-bromophenyl) propanal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7F30
- Type
- protein
- Length
- 339 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylacetaldoxime dehydratase
- EC
- 4.99.1.7
- UniProt
- P82604
- Ligands
- HEM, 0WQ
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylacetaldoxime dehydratase (EC 4.99.1.7) | protein | 339 | 31% helix, 30% strand | P82604 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 0WQ · Z-2-(3-bromophenyl) propanal oxime · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 631 | 0.81 | 0.86 | 56 | HEM, 0WQ |
| 2 | 130 | 0.56 | 0.83 | 24 | empty |
| 3 | 85 | 0.34 | 0.74 | 16 | empty |
Compared structures
- 7F30 · Crystal structure of OxdB E85A in complex with Z-2- (3-bromophenyl) propanal oxime · the same entry in another collection · chain A against A, TM-score 1.00
- P82604 · AlphaFold monomer V2.0 prediction for phenylacetaldoxime dehydratase (P82604) · 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 P82604
- Elsewhere: RCSB PDB 7F30 · PDBe 7F30 · UniProt P82604
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