MolNFT v1 · #160428 · protein
Human PRPF4B bound to benzothiophene inhibitor 329
6PK6 · SERINE/THREONINE-protein kinase PRP4 homolog: “Human PRPF4B bound to benzothiophene inhibitor 329”. X-ray diffraction, 2 ligands (OND, SO4), 2 pockets (best druggability 0.67). MolNFT v1 #160428 on GenesisL1: 3D structure, binding…
- PDB
- 6PK6
- Type
- protein
- Length
- 338 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase PRP4 homolog
- EC
- 2.7.11.1
- UniProt
- Q13523
- Ligands
- OND, SO4
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase PRP4 homolog (EC 2.7.11.1) | protein | 338 | 38% helix, 20% strand | Q13523 |
Ligands and binding sites
- OND · 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide · ligand · chains A
- SO4 · Sulfate 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 | 290 | 0.67 | 0.83 | 33 | OND |
| 2 | 73 | 0.39 | 0.79 | 17 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
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 Q13523
- Elsewhere: RCSB PDB 6PK6 · PDBe 6PK6 · UniProt Q13523
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