MolNFT v1 · #163446 · protein
Coxsackie B3 2C protein in complex with S-fluoxetine
6S3A: “Coxsackie B3 2C protein in complex with S-fluoxetine”. X-ray diffraction, 3 ligands (SFX, ZN, CL), 2 pockets (best druggability 0.54). MolNFT v1 #163446 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6S3A
- Type
- protein
- Length
- 209 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2C protein
- UniProt
- Q9E7C2
- Ligands
- SFX, ZN, CL
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2C protein | protein | 209 | 36% helix, 19% strand | Q9E7C2 |
Ligands and binding sites
- SFX · (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl) phenoxy]propan-1-amine · ligand · chains A
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.54 | 0.82 | 18 | SFX |
| 2 | 50 | 0.32 | 0.77 | 11 | empty |
Compared structures
- 6S3A · Coxsackie B3 2C protein in complex with S-Fluoxetine · 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 Q9E7C2
- Elsewhere: RCSB PDB 6S3A · PDBe 6S3A · UniProt Q9E7C2
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