MolNFT v1 · #42798 · RNA
Inhibitor induced structural change in the HCV ires domain iia RNA
2KTZ: “Inhibitor induced structural change in the HCV ires domain iia RNA”. Solution nmr, 1 ligand (ISH), 2 pockets (best druggability 0.45). MolNFT v1 #42798 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2KTZ
- Type
- RNA
- Length
- 38 nucleotides
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HCV ires domain iia RNA
- Ligands
- ISH
- Pockets
- 2 · best druggability 0.45
Structure
solution nmr · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HCV ires domain iia RNA | rna | 38 | — | — |
Ligands and binding sites
- ISH · (7R)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 261 | 0.45 | 0.72 | 22 | empty |
| 2 | 62 | 0.26 | 0.73 | 10 | ISH |
Compared structures
- 2KTZ · Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA · 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
- Elsewhere: RCSB PDB 2KTZ · PDBe 2KTZ
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