MolNFT v1 · #1063 · protein + RNA
Structure of a MS2 coat protein mutant in complex with an RNA operator
1AQ4 · RNA (5'- R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*…: “Structure of a MS2 coat protein mutant in complex with an RNA operator”. X-ray diffraction, 5 pockets (best druggability 0.75). MolNFT v1 #1063 on GenesisL1: 3D…
- PDB
- 1AQ4
- Type
- protein + RNA
- Length
- 417 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RNA (5'- R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*U P*GP*U)-3')…
- UniProt
- P03612
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| R | RNA (5'- R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*U P*GP*U)-3') | rna | 16 | — | — |
| S | RNA (5'- R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*U P*GP*U)-3') | rna | 14 | — | — |
| A, B, C | PROTEIN(BACTERIOPHAGE MS2 coat protein) | protein | 129 | 19% helix, 46% strand | P03612 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 939 | 0.75 | 0.78 | 113 | empty |
| 2 | 354 | 0.58 | 0.76 | 33 | empty |
| 3 | 218 | 0.48 | 0.75 | 28 | empty |
| 4 | 189 | 0.41 | 0.73 | 20 | empty |
| 5 | 185 | 0.40 | 0.73 | 20 | empty |
Interfaces
5 interfaces between chains.
- B–C · 558 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 545 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 515 Ų buried · 6 hydrogen bonds · protein-protein
- S–C · 416 Ų buried · 8 hydrogen bonds · protein-nucleic
- R–A · 393 Ų buried · 8 hydrogen bonds · protein-nucleic
Compared structures
- 1AQ4 · Structure of a MS2 coat protein mutant in complex with an RNA operator · 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 1AQ4 · PDBe 1AQ4 · UniProt P03612
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