MolNFT v1 · #106354 · protein + RNA
Crystal structure of the porcine OAS1 L149R mutant in complex with dsrna and apcpp in the AMP donor position
4RWO · RNA (5'- R(*GP*GP*CP*UP*UP*UP*UP*GP*AP*CP*CP*UP*UP*UP*AP*UP*…: “Crystal structure of the porcine OAS1 L149R mutant in complex with dsrna and apcpp in the AMP donor position”. X-ray diffraction, 2 ligands (APC, MG), 3 pockets (best…
- 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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