MolNFT v1 · #87346 · protein
Crystal structure of drosophila FRQ2
4BY5 · FI18190P1: “Crystal structure of drosophila FRQ2”. X-ray diffraction, 2 ligands (CA, NA), 14 pockets (best druggability 0.73). MolNFT v1 #87346 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4BY5
- Type
- protein
- Length
- 685 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FI18190P1
- UniProt
- Q9VWX8
- Ligands
- CA, NA
- Pockets
- 14 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 65% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FI18190P1 | protein | 171 | 64% helix, 5% strand | Q9VWX8 |
| B | FI18190P1 | protein | 180 | 64% helix, 4% strand | Q9VWX8 |
| C | FI18190P1 | protein | 169 | 67% helix, 4% strand | Q9VWX8 |
| D | FI18190P1 | protein | 165 | 65% helix, 5% strand | Q9VWX8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 592 | 0.73 | 0.81 | 72 | empty |
| 2 | 165 | 0.59 | 0.82 | 35 | empty |
| 3 | 398 | 0.58 | 0.75 | 48 | empty |
| 4 | 169 | 0.58 | 0.82 | 24 | empty |
| 5 | 218 | 0.52 | 0.76 | 26 | empty |
Interfaces
4 interfaces between chains.
- B–D · 953 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 468 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 278 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 68 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4BY5 · Crystal structure of Drosophila Frq2 · 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 Q9VWX8
- Elsewhere: RCSB PDB 4BY5 · PDBe 4BY5 · UniProt Q9VWX8
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