MolNFT v1 · #178051 · protein
Crystal structure of oxdb E85A mutant (form II)
7F2Z · Phenylacetaldoxime dehydratase: “Crystal structure of oxdb E85A mutant (form II)”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.84). MolNFT v1 #178051 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7F2Z
- Type
- protein
- Length
- 678 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylacetaldoxime dehydratase
- EC
- 4.99.1.7
- UniProt
- P82604
- Ligands
- HEM
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phenylacetaldoxime dehydratase (EC 4.99.1.7) | protein | 339 | 31% helix, 30% strand | P82604 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1102 | 0.84 | 0.85 | 99 | HEM |
| 2 | 604 | 0.83 | 0.87 | 54 | HEM |
| 3 | 83 | 0.43 | 0.80 | 19 | empty |
| 4 | 81 | 0.42 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 336 Ų buried · 4 hydrogen bonds · protein-protein
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 P82604
- Elsewhere: RCSB PDB 7F2Z · PDBe 7F2Z · UniProt P82604
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