MolNFT v1 · #142422 · protein
Crystal structure of a synthase 1 from santalum album in complex with ligand S
6A3X · Sesquisabinene B synthase 1: “Crystal structure of a synthase 1 from santalum album in complex with ligand S”. X-ray diffraction, 2 ligands (SNE, SO4), 4 pockets (best druggability 0.72). MolNFT v1 #142422 on GenesisL1: 3D…
- PDB
- 6A3X
- Type
- protein
- Length
- 515 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sesquisabinene B synthase 1
- UniProt
- A0A0A0RDR2
- Ligands
- SNE, SO4
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sesquisabinene B synthase 1 | protein | 515 | 74% helix, 0% strand | A0A0A0RDR2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 179 | 0.72 | 0.89 | 21 | empty |
| 2 | 349 | 0.70 | 0.83 | 38 | empty |
| 3 | 429 | 0.68 | 0.80 | 51 | SNE |
| 4 | 215 | 0.54 | 0.78 | 22 | empty |
Compared structures
- 6A3X · Crystal structure of a synthase 1 from Santalum album in complex with ligand s · 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 A0A0A0RDR2
- Elsewhere: RCSB PDB 6A3X · PDBe 6A3X · UniProt A0A0A0RDR2
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