MolNFT v1 · #153829 · protein
ZHD/H242A complex with azol
6JR2 · Zearalenone hydrolase: “ZHD/H242A complex with azol”. X-ray diffraction, 2 ligands (36J, K), 2 pockets (best druggability 0.76). MolNFT v1 #153829 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6JR2
- Type
- protein
- Length
- 536 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Zearalenone hydrolase
- Ligands
- 36J, K
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Zearalenone hydrolase | protein | 268 | 50% helix, 18% strand | — |
Ligands and binding sites
- 36J · (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9, 10-octahydro-1H-2-benzoxacyclotetradecin-1-one · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 7 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 | 329 | 0.76 | 0.86 | 35 | 36J, GOL |
| 2 | 311 | 0.74 | 0.86 | 35 | 36J, GOL |
Interfaces
1 interface between chains.
- A–B · 654 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6JR2 · ZHD/H242A complex with aZOL · 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 6JR2 · PDBe 6JR2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.