MolNFT v1 · #153826 · protein
ZHD/H242A complex with zen
6JQZ · Zearalenone hydrolase: “ZHD/H242A complex with zen”. X-ray diffraction, 1 ligand (ZER), 2 pockets (best druggability 0.77). MolNFT v1 #153826 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6JQZ
- Type
- protein
- Length
- 536 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Zearalenone hydrolase
- Ligands
- ZER
- Pockets
- 2 · best druggability 0.77
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
- 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
- GOL · Glycerol · additive · 3 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 | 346 | 0.77 | 0.87 | 35 | ZER, GOL |
| 2 | 336 | 0.75 | 0.86 | 36 | ZER, GOL |
Interfaces
1 interface between chains.
- A–B · 662 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6JQZ · ZHD/H242A complex with ZEN · the same entry in another collection · chain B against B, 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 6JQZ · PDBe 6JQZ
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