MolNFT v1 · #99727 · protein
Hedycaryol synthase in complex with nerolidol
4MC3 · Putative sesquiterpene cyclase: “Hedycaryol synthase in complex with nerolidol”. X-ray diffraction, 1 ligand (28U), 1 pocket (best druggability 0.68). MolNFT v1 #99727 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MC3
- Type
- protein
- Length
- 287 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative sesquiterpene cyclase
- EC
- 4.2.3.-
- UniProt
- E4MYY0
- Ligands
- 28U
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative sesquiterpene cyclase (EC 4.2.3.-) | protein | 287 | 76% helix, 0% strand | E4MYY0 |
Ligands and binding sites
- 28U · (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 431 | 0.68 | 0.80 | 36 | 28U |
Compared structures
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 E4MYY0
- Elsewhere: RCSB PDB 4MC3 · PDBe 4MC3 · UniProt E4MYY0
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