MolNFT v1 · #86582 · protein
Structure of a putative epoxide hydrolase Q244E mutant from pseudomonas aeruginosa.
4BAZ · Probable epoxide hydrolase: “Structure of a putative epoxide hydrolase Q244E mutant from pseudomonas aeruginosa.”. X-ray diffraction, 2 ligands (SO4, CL), 1 pocket (best druggability 0.72). MolNFT v1 #86582 on GenesisL1: 3D…
- PDB
- 4BAZ
- Type
- protein
- Length
- 296 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable epoxide hydrolase
- UniProt
- Q9I229
- Ligands
- SO4, CL
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable epoxide hydrolase | protein | 296 | 48% helix, 18% strand | Q9I229 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 11 copies · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 399 | 0.72 | 0.83 | 35 | SO4, CL |
Compared structures
- 4BAZ · Structure of a putative epoxide hydrolase Q244E mutant from Pseudomonas aeruginosa. · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9I229
- Elsewhere: RCSB PDB 4BAZ · PDBe 4BAZ · UniProt Q9I229
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