MolNFT v1 · #26522 · protein + RNA
Crystal structure of hutp-antitermination complex
1WRQ · 5'-R(*UP*UP*UP*AP*GP*UP*U)-3': “Crystal structure of hutp-antitermination complex”. X-ray diffraction, 2 ligands (HIS, MG), 3 pockets (best druggability 0.38). MolNFT v1 #26522 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1WRQ
- Type
- protein + RNA
- Length
- 300 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-R(*UP*UP*UP*AP*GP*UP*U)-3'; Hut operon positive regulatory protein
- UniProt
- P10943
- Ligands
- HIS, MG
- Pockets
- 3 · best druggability 0.38
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, D | 5'-R(*UP*UP*UP*AP*GP*UP*U)-3' | rna | 7 | — | — |
| A | Hut operon positive regulatory protein | protein | 143 | 40% helix, 31% strand | P10943 |
| B | Hut operon positive regulatory protein | protein | 143 | 38% helix, 31% strand | P10943 |
Ligands and binding sites
- HIS · Histidine · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.38 | 0.77 | 22 | empty |
| 2 | 83 | 0.34 | 0.75 | 17 | empty |
| 3 | 58 | 0.24 | 0.72 | 14 | MG, HIS |
Interfaces
3 interfaces between chains.
- A–B · 1274 Ų buried · 19 hydrogen bonds · protein-protein
- C–A · 716 Ų buried · 20 hydrogen bonds · protein-nucleic
- D–B · 693 Ų buried · 20 hydrogen bonds · protein-nucleic
Compared structures
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 P10943
- Elsewhere: RCSB PDB 1WRQ · PDBe 1WRQ · UniProt P10943
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