MolNFT v1 · #162789 · protein + DNA + RNA
Cryo-EM structure of ST1CAS9-sgrna-TDNA20-ACRIIA6 monomeric assembly.
6RJ9: “Cryo-EM structure of ST1CAS9-sgrna-TDNA20-ACRIIA6 monomeric assembly.”. Electron microscopy, 20 pockets (best druggability 0.83). MolNFT v1 #162789 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6RJ9
- Type
- protein + DNA + RNA
- Length
- 1,299 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ACRIIA6; CRISPR-associated endonuclease CAS9 1; Sgrna; TDNA20
- EC
- 3.1.-.-
- UniProt
- A0A2U7VKE8, Q03LF7
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 4 distinct chains · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | ACRIIA6 | protein | 183 | 46% helix, 16% strand | A0A2U7VKE8 |
| C | CRISPR-associated endonuclease CAS9 1 (EC 3.1.-.-) | protein | 836 | 35% helix, 17% strand | Q03LF7 |
| D | Sgrna | rna | 78 | — | — |
| E | TDNA20 | dna | 19 | — | — |
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1110 | 0.83 | 0.85 | 83 | empty |
| 2 | 1148 | 0.83 | 0.85 | 68 | empty |
| 3 | 823 | 0.82 | 0.85 | 95 | empty |
| 4 | 764 | 0.72 | 0.79 | 49 | empty |
| 5 | 541 | 0.64 | 0.76 | 31 | empty |
Interfaces
7 interfaces between chains.
- C–D · 6074 Ų buried · 105 hydrogen bonds · protein-nucleic
- A–C · 1412 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1293 Ų buried · 10 hydrogen bonds · protein-protein
- C–E · 1008 Ų buried · 6 hydrogen bonds · protein-nucleic
- D–E · 975 Ų buried · 47 hydrogen bonds · nucleic-nucleic
Compared structures
- 6RJ9 · Cryo-EM structure of St1Cas9-sgRNA-tDNA20-AcrIIA6 monomeric assembly. · the same entry in another collection · chain A against A, TM-score 1.00
- Q03LF7 · AlphaFold monomer V2.0 prediction for CRISPR-associated endonuclease CAS9 1 (Q03LF7) · a predicted model of the same protein · chain C against A, TM-score 0.92
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 A0A2U7VKE8
- Every structure of UniProt Q03LF7
- Elsewhere: RCSB PDB 6RJ9 · PDBe 6RJ9 · UniProt A0A2U7VKE8 · UniProt Q03LF7
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