MolNFT v1 · #32556 · protein + RNA
MS2-RNA hairpin (5BRU -5) complex
2BU1 · MS2 coat protein: “MS2-RNA hairpin (5BRU -5) complex”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #32556 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BU1
- Type
- protein + RNA
- Length
- 421 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MS2 coat protein; 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *5BU*AP*CP*CP*CP*AP*UP*GP*U)-3'
- UniProt
- P03612
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | MS2 coat protein | protein | 129 | 19% helix, 46% strand | P03612 |
| R, S | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *5BU*AP*CP*CP*CP*AP*UP*GP*U)-3' | rna | 17 | — | — |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 533 | 0.71 | 0.80 | 43 | empty |
| 2 | 431 | 0.62 | 0.77 | 44 | empty |
| 3 | 454 | 0.61 | 0.75 | 50 | empty |
| 4 | 382 | 0.55 | 0.74 | 22 | empty |
| 5 | 50 | 0.26 | 0.74 | 10 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3352 Ų buried · 45 hydrogen bonds · protein-protein
- A–C · 523 Ų buried · 5 hydrogen bonds · protein-protein
- C–S · 497 Ų buried · 15 hydrogen bonds · protein-nucleic
- B–R · 468 Ų buried · 14 hydrogen bonds · protein-nucleic
- A–R · 448 Ų buried · 15 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 2 modified (nucleotide modification).
Compared structures
- 2BU1 · MS2-RNA hairpin (5BRU -5) complex · 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 P03612
- Elsewhere: RCSB PDB 2BU1 · PDBe 2BU1 · UniProt P03612
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.