MolNFT v1 · #141745 · protein
Crystal structure of OSD14 in complex with covalently bound KK052
5ZHS · Strigolactone esterase D14: “Crystal structure of OSD14 in complex with covalently bound KK052”. X-ray diffraction, 1 ligand (KAT), 1 pocket (best druggability 0.64). MolNFT v1 #141745 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5ZHS
- Type
- protein
- Length
- 264 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Strigolactone esterase D14
- EC
- 3.1.-.-
- UniProt
- Q10QA5
- Ligands
- KAT
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Strigolactone esterase D14 (EC 3.1.-.-) | protein | 264 | 45% helix, 15% strand | Q10QA5 |
Ligands and binding sites
- KAT · (4-phenylpiperazin-1-yl)(1h-1,2,3-triazol-1-yl) methanone · 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 | 125 | 0.64 | 0.87 | 20 | KAT |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5ZHS · Crystal structure of OsD14 in complex with covalently bound KK052 · the same entry in another collection · chain A against A, TM-score 1.00
- Q10QA5 · AlphaFold monomer V2.0 prediction for strigolactone esterase D14 (Q10QA5) · a predicted model of the same protein · 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 Q10QA5
- Elsewhere: RCSB PDB 5ZHS · PDBe 5ZHS · UniProt Q10QA5
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