MolNFT v1 · #70473 · protein
Crystal structure of mouse PACSIN2 F-bar domain
3LLL · Protein kinase C and casein kinase substrate in neurons…: “Crystal structure of mouse PACSIN2 F-bar domain”. X-ray diffraction, 3 ligands (CA, SO4, CL), 5 pockets (best druggability 0.60). MolNFT v1 #70473 on GenesisL1: 3D…
- PDB
- 3LLL
- Type
- protein
- Length
- 574 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase C and casein kinase substrate in neurons protein 2
- UniProt
- Q9WVE8
- Ligands
- CA, SO4, CL
- Pockets
- 5 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein kinase C and casein kinase substrate in neurons protein 2 | protein | 287 | 78% helix, 1% strand | Q9WVE8 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 155 | 0.60 | 0.83 | 20 | empty |
| 2 | 108 | 0.60 | 0.86 | 17 | empty |
| 3 | 65 | 0.38 | 0.78 | 9 | empty |
| 4 | 62 | 0.35 | 0.78 | 13 | empty |
| 5 | 54 | 0.28 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 4450 Ų buried · 34 hydrogen bonds · protein-protein
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 Q9WVE8
- Elsewhere: RCSB PDB 3LLL · PDBe 3LLL · UniProt Q9WVE8
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