MolNFT v1 · #115049 · protein
Zhd-intermediate complex after zhd crystal soaking in zen for 12MIN
5C81 · Zearalenone hydrolase: “Zhd-intermediate complex after zhd crystal soaking in zen for 12MIN”. X-ray diffraction, 2 ligands (ZFR, K), 2 pockets (best druggability 0.74). MolNFT v1 #115049 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5C81
- Type
- protein
- Length
- 535 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Zearalenone hydrolase
- UniProt
- Q8NKB0
- Ligands
- ZFR, K
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Zearalenone hydrolase | protein | 267 | 51% helix, 18% strand | Q8NKB0 |
| B | Zearalenone hydrolase | protein | 268 | 52% helix, 18% strand | Q8NKB0 |
Ligands and binding sites
- ZFR · (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
- FMT · Formic acid · additive · 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 | 274 | 0.74 | 0.87 | 35 | ZFR |
| 2 | 266 | 0.73 | 0.86 | 33 | ZFR |
Interfaces
1 interface between chains.
- A–B · 638 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5C81 · ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 12min · 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
- Every structure of UniProt Q8NKB0
- Elsewhere: RCSB PDB 5C81 · PDBe 5C81 · UniProt Q8NKB0
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