MolNFT v1 · #32427 · protein + RNA
MS2 (N87AE89K mutant) - RNA hairpin complex
2BQ5 · Coat protein: “MS2 (N87AE89K mutant) - RNA hairpin complex”. X-ray diffraction, 5 pockets (best druggability 0.73). MolNFT v1 #32427 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BQ5
- Type
- protein + RNA
- Length
- 423 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coat protein; 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3'
- UniProt
- P03612
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Coat protein | protein | 129 | 19% helix, 46% strand | P03612 |
| R | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3' | rna | 19 | — | — |
| S | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*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 | 685 | 0.73 | 0.80 | 50 | empty |
| 2 | 453 | 0.62 | 0.77 | 38 | empty |
| 3 | 452 | 0.60 | 0.75 | 49 | empty |
| 4 | 343 | 0.51 | 0.73 | 29 | empty |
| 5 | 102 | 0.40 | 0.76 | 23 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3313 Ų buried · 47 hydrogen bonds · protein-protein
- A–C · 514 Ų buried · 8 hydrogen bonds · protein-protein
- B–R · 475 Ų buried · 13 hydrogen bonds · protein-nucleic
- C–S · 453 Ų buried · 8 hydrogen bonds · protein-nucleic
- A–R · 382 Ų buried · 9 hydrogen bonds · protein-nucleic
Compared structures
- 2BQ5 · MS2 (N87AE89K mutant) - RNA hairpin 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 2BQ5 · PDBe 2BQ5 · UniProt P03612
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