MolNFT v1 · #83450 · protein
Crystal structure of OSD14 in complex with hydroxy D-ring
3WIO · Probable strigolactone esterase D14: “Crystal structure of OSD14 in complex with hydroxy D-ring”. X-ray diffraction, 1 ligand (H3M), 3 pockets (best druggability 0.73). MolNFT v1 #83450 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3WIO
- Type
- protein
- Length
- 531 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable strigolactone esterase D14
- EC
- 3.1.-.-
- UniProt
- Q10QA5
- Ligands
- H3M
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable strigolactone esterase D14 (EC 3.1.-.-) | protein | 265 | 48% helix, 15% strand | Q10QA5 |
| B | Probable strigolactone esterase D14 (EC 3.1.-.-) | protein | 266 | 48% helix, 15% strand | Q10QA5 |
Ligands and binding sites
- H3M · (5R)-5-hydroxy-3-methylfuran-2(5H)-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 807 | 0.73 | 0.78 | 87 | H3M |
| 2 | 143 | 0.66 | 0.87 | 18 | empty |
| 3 | 80 | 0.31 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 437 Ų buried · 8 hydrogen bonds · protein-protein
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 Q10QA5
- Elsewhere: RCSB PDB 3WIO · PDBe 3WIO · UniProt Q10QA5
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