MolNFT v1 · #163521 · protein
Strictosidine synthase from ophiorrhiza pumila in complex with (S)-1- ethyl-2,3,4,9-tetrahydro-1H-beta-carboline
6S5J: “Strictosidine synthase from ophiorrhiza pumila in complex with (S)-1…”. X-ray diffraction, 1 ligand (KW8), 2 pockets (best druggability 0.65). MolNFT v1 #163521 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6S5J
- Type
- protein
- Length
- 303 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Strictosidine synthase
- UniProt
- Q94LW9
- Ligands
- KW8
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Strictosidine synthase | protein | 303 | 7% helix, 49% strand | Q94LW9 |
Ligands and binding sites
- KW8 · (1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole · ligand · 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 | 242 | 0.65 | 0.83 | 30 | KW8 |
| 2 | 244 | 0.64 | 0.82 | 27 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6S5J · Strictosidine Synthase from Ophiorrhiza pumila in complex with… · 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 Q94LW9
- Elsewhere: RCSB PDB 6S5J · PDBe 6S5J · UniProt Q94LW9
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