MolNFT v1 · #153836 · protein
ZHD/W183F complex with zen
6JR9 · Zearalenone hydrolase: “ZHD/W183F complex with zen”. X-ray diffraction, 2 ligands (ZER, K), 2 pockets (best druggability 0.71). MolNFT v1 #153836 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6JR9
- Type
- protein
- Length
- 538 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Zearalenone hydrolase
- Ligands
- ZER, K
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Zearalenone hydrolase | protein | 269 | 51% helix, 18% strand | — |
Ligands and binding sites
- ZER · (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 8 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 | 327 | 0.71 | 0.84 | 36 | ZER |
| 2 | 315 | 0.71 | 0.84 | 34 | ZER, GOL |
Interfaces
1 interface between chains.
- A–B · 648 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6JR9 · ZHD/W183F complex with ZEN · 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 6JR9 · PDBe 6JR9
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