MolNFT v1 · #158669 · protein + DNA + RNA
Conformational states of CAS9-sgrna-DNA ternary complex in the presence of magnesium
6O0Z · CRISPR-associated endonuclease CAS9/CSN1: “Conformational states of CAS9-sgrna-DNA ternary complex in the presence of magnesium”. Electron microscopy, 20 pockets (best druggability 0.78). MolNFT v1 #158669 on GenesisL1: 3D…
- PDB
- 6O0Z
- Type
- protein + DNA + RNA
- Length
- 1,423 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS9/CSN1; Single guide RNA; Target strand DNA; Non-target…
- EC
- 3.1.-.-
- UniProt
- Q99ZW2
- Pockets
- 20 · best druggability 0.78
Structure
electron microscopy · 4 distinct chains · 44% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated endonuclease CAS9/CSN1 (EC 3.1.-.-) | protein | 1288 | 44% helix, 10% strand | Q99ZW2 |
| B | Single guide RNA | rna | 96 | — | — |
| C | Target strand DNA | dna | 28 | — | — |
| D | Non-target strand DNA | dna | 11 | — | — |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 671 | 0.78 | 0.84 | 51 | empty |
| 2 | 965 | 0.78 | 0.81 | 122 | empty |
| 3 | 406 | 0.73 | 0.84 | 62 | empty |
| 4 | 809 | 0.73 | 0.78 | 74 | empty |
| 5 | 456 | 0.71 | 0.81 | 47 | empty |
Interfaces
5 interfaces between chains.
- A–B · 5955 Ų buried · 99 hydrogen bonds · protein-nucleic
- B–C · 906 Ų buried · 65 hydrogen bonds · nucleic-nucleic
- A–C · 879 Ų buried · 9 hydrogen bonds · protein-nucleic
- A–D · 526 Ų buried · 9 hydrogen bonds · protein-nucleic
- C–D · 485 Ų buried · 31 hydrogen bonds · nucleic-nucleic
Compared structures
- 6O0Z · Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium · the same entry in another collection · chain A against A, TM-score 1.00
- Q99ZW2 · AlphaFold monomer V2.0 prediction for CRISPR-associated endonuclease CAS9/CSN1 (Q99ZW2) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 Q99ZW2
- Elsewhere: RCSB PDB 6O0Z · PDBe 6O0Z · UniProt Q99ZW2
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