MolNFT v1 · #153838 · protein
ZHD/W183F complex with bzol
6JRB · Zearalenone hydrolase: “ZHD/W183F complex with bzol”. X-ray diffraction, 1 ligand (ZHB), 2 pockets (best druggability 0.73). MolNFT v1 #153838 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6JRB
- Type
- protein
- Length
- 537 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Zearalenone hydrolase
- Ligands
- ZHB
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Zearalenone hydrolase | protein | 268 | 50% helix, 18% strand | — |
| B | Zearalenone hydrolase | protein | 269 | 51% helix, 18% strand | — |
Ligands and binding sites
- ZHB · (3S,7S,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
- GOL · Glycerol · additive · 6 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 | 317 | 0.73 | 0.85 | 36 | ZHB, GOL |
| 2 | 337 | 0.71 | 0.83 | 34 | ZHB, GOL |
Interfaces
1 interface between chains.
- A–B · 644 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6JRB · ZHD/W183F complex with bZOL · 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 6JRB · PDBe 6JRB
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