MolNFT v1 · #157578 · protein
Crystal structure of an epoxide hydrolase from trichoderma reesei in complex with inhibitor 4
6N3Z · Epoxide hydrolase treh: “Crystal structure of an epoxide hydrolase from trichoderma reesei in complex with inhibitor 4”. X-ray diffraction, 1 ligand (KC4), 2 pockets (best druggability 0.71). MolNFT v1 #157578 on GenesisL1: 3D…
- PDB
- 6N3Z
- Type
- protein
- Length
- 336 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epoxide hydrolase treh
- Ligands
- KC4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epoxide hydrolase treh | protein | 336 | 42% helix, 17% strand | — |
Ligands and binding sites
- KC4 · N-methyl-4-{[trans-4-({[4-(trifluoromethoxy) phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide · ligand · chains A
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 | 326 | 0.71 | 0.84 | 31 | KC4 |
| 2 | 190 | 0.61 | 0.82 | 25 | empty |
Compared structures
- 6N3Z · Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with… · 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
- Elsewhere: RCSB PDB 6N3Z · PDBe 6N3Z
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