MolNFT v1 · #132391 · protein
Pandda analysis group deposition -- AAR2/RNASEH in complex with fragment F2X-entry B08A
5QY4 · Pre-mRNA-splicing factor 8: “Pandda analysis group deposition -- AAR2/RNASEH in complex with fragment F2X-entry B08A”. X-ray diffraction, 2 ligands (T9S, SO4), 6 pockets (best druggability 0.56). MolNFT v1 #132391 on GenesisL1: 3D…
- PDB
- 5QY4
- Type
- protein
- Length
- 554 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pre-mRNA-splicing factor 8; A1 cistron-splicing factor AAR2
- UniProt
- P33334, P32357
- Ligands
- T9S, SO4
- Pockets
- 6 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pre-mRNA-splicing factor 8 | protein | 254 | 47% helix, 18% strand | P33334 |
| B | A1 cistron-splicing factor AAR2 | protein | 300 | 44% helix, 20% strand | P32357 |
Ligands and binding sites
- T9S · ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- PGR · R-1,2-propanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 218 | 0.56 | 0.78 | 23 | T9S |
| 2 | 102 | 0.43 | 0.78 | 18 | T9S |
| 3 | 71 | 0.37 | 0.77 | 15 | empty |
| 4 | 83 | 0.35 | 0.76 | 16 | empty |
| 5 | 92 | 0.34 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 478 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5QY4 · PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B08a · the same entry in another collection · chain A against A, TM-score 1.00
- P32357 · AlphaFold monomer V2.0 prediction for A1 cistron-splicing factor AAR2 (P32357) · a predicted model of the same protein · chain B 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 P33334
- Every structure of UniProt P32357
- Elsewhere: RCSB PDB 5QY4 · PDBe 5QY4 · UniProt P33334 · UniProt P32357
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