Research workbench
Crystal structure of the porcine OAS1 L149R mutant in complex with dsrna and apcpp in the AMP donor position
Analyse Crystal structure of the porcine OAS1 L149R mutant in complex with dsrna and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4RWO
- Type
- protein + RNA
- Length
- 385 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RNA (5'- R(*GP*GP*CP*UP*UP*UP*UP*GP*AP*CP*CP*UP*UP*UP*AP*UP*GP*AP*A)-3'); RNA (5'…
- EC
- 2.7.7.84
- UniProt
- Q29599
- Ligands
- APC, MG
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | RNA (5'- R(*GP*GP*CP*UP*UP*UP*UP*GP*AP*CP*CP*UP*UP*UP*AP*UP*GP*AP*A)-3') | rna | 19 | — | — |
| C | RNA (5'- R(*UP*UP*CP*AP*UP*AP*AP*AP*GP*GP*UP*CP*AP*AP*AP*AP*GP*CP*C)-3') | rna | 19 | — | — |
| A | 2'-5'-oligoadenylate synthase 1 (EC 2.7.7.84) | protein | 347 | 49% helix, 11% strand | Q29599 |
Ligands and binding sites
- APC · Diphosphomethylphosphonic acid adenosyl ester · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1019 | 0.71 | 0.76 | 47 | empty |
| 2 | 645 | 0.68 | 0.77 | 62 | MG, APC |
| 3 | 63 | 0.31 | 0.75 | 12 | empty |
Interfaces
3 interfaces between chains.
- C–A · 911 Ų buried · 17 hydrogen bonds · protein-nucleic
- B–C · 886 Ų buried · 77 hydrogen bonds · nucleic-nucleic
- B–A · 773 Ų buried · 15 hydrogen bonds · protein-nucleic
Compared structures
- 4RWO · Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the… · the same entry in another collection · chain B against B, TM-score 1.00
- Q29599 · AlphaFold monomer V2.0 prediction for 2'-5'-oligoadenylate synthase 1 (Q29599) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 Q29599
- Elsewhere: RCSB PDB 4RWO · PDBe 4RWO · UniProt Q29599
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