MolNFT v1 · #57531 · protein + DNA
Structure of wrn rqc domain bound to double-stranded DNA
3AAF · Werner syndrome ATP-dependent helicase: “Structure of wrn rqc domain bound to double-stranded DNA”. X-ray diffraction, 2 pockets (best druggability 0.62). MolNFT v1 #57531 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3AAF
- Type
- protein + DNA
- Length
- 246 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Werner syndrome ATP-dependent helicase; DNA (5'-D(*AP*CP*CP*CP*TP*AP*AP*TP*TP*AP*GP*GP*GP*…
- EC
- 3.6.1.-
- UniProt
- Q14191
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Werner syndrome ATP-dependent helicase (EC 3.6.1.-) | protein | 109 | 44% helix, 13% strand | Q14191 |
| C, D | DNA (5'-D(*AP*CP*CP*CP*TP*AP*AP*TP*TP*AP*GP*GP*GP*T)-3') | dna | 14 | — | — |
Ligands and binding sites
- ACT · Acetate ion · additive · 2 copies · chains A, B
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 | 353 | 0.62 | 0.78 | 38 | empty |
| 2 | 309 | 0.57 | 0.77 | 26 | empty |
Interfaces
5 interfaces between chains.
- C–D · 548 Ų buried · 45 hydrogen bonds · nucleic-nucleic
- A–C · 394 Ų buried · 6 hydrogen bonds · protein-nucleic
- B–D · 376 Ų buried · 5 hydrogen bonds · protein-nucleic
- B–C · 366 Ų buried · 9 hydrogen bonds · protein-nucleic
- A–D · 351 Ų buried · 9 hydrogen bonds · protein-nucleic
Compared structures
- 3AAF · Structure of WRN RQC domain bound to double-stranded DNA · the same entry in another collection · chain A against A, TM-score 1.00
- Q14191 · AlphaFold monomer V2.0 prediction for werner syndrome ATP-dependent helicase (Q14191) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q14191
- Elsewhere: RCSB PDB 3AAF · PDBe 3AAF · UniProt Q14191
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