MolNFT v1 · #168122 · protein + DNA + RNA
Cryo-EM structure of CAS12I-crrna-dsdna complex in I1 state
6W64: “Cryo-EM structure of CAS12I-crrna-dsdna complex in I1 state”. Electron microscopy, 17 pockets (best druggability 0.77). MolNFT v1 #168122 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6W64
- Type
- protein + DNA + RNA
- Length
- 984 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CAS12I; Crrna; DNA (25-mer)
- Pockets
- 17 · best druggability 0.77
Structure
electron microscopy · 3 distinct chains · 49% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CAS12I | protein | 928 | 49% helix, 11% strand | — |
| B | Crrna | rna | 38 | — | — |
| C | DNA (25-mer) | dna | 18 | — | — |
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 405 | 0.77 | 0.87 | 37 | empty |
| 2 | 600 | 0.75 | 0.82 | 41 | empty |
| 3 | 1021 | 0.72 | 0.76 | 49 | empty |
| 4 | 313 | 0.70 | 0.83 | 42 | empty |
| 5 | 768 | 0.69 | 0.76 | 62 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3945 Ų buried · 75 hydrogen bonds · protein-nucleic
- A–C · 1338 Ų buried · 18 hydrogen bonds · protein-nucleic
- B–C · 745 Ų buried · 56 hydrogen bonds · nucleic-nucleic
Compared structures
- 6W64 · Cryo-EM structure of Cas12i-crRNA-dsDNA complex in I1 state · 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 6W64 · PDBe 6W64
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