MolNFT v1 · #187193 · protein + DNA + RNA
Cryo-EM structure of CAS9 in complex with 12-14MM DNA substrate, 5 minute time-point
7S4U · CRISPR-associated endonuclease CAS9/CSN1: “Cryo-EM structure of CAS9 in complex with 12-14MM DNA substrate, 5 minute time-point”. Electron microscopy, 20 pockets (best druggability 0.82). MolNFT v1 #187193 on GenesisL1: 3D…
- PDB
- 7S4U
- Type
- protein + DNA + RNA
- Length
- 1,234 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS9/CSN1; Grna; Target strand; Non-target strand
- EC
- 3.1.-.-
- UniProt
- Q99ZW2
- Pockets
- 20 · best druggability 0.82
Structure
electron microscopy · 4 distinct chains · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated endonuclease CAS9/CSN1 (EC 3.1.-.-) | protein | 1092 | 49% helix, 12% strand | Q99ZW2 |
| B | Grna | rna | 97 | — | — |
| C | Target strand | dna | 32 | — | — |
| D | Non-target strand | dna | 13 | — | — |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.82 | 0.84 | 99 | empty |
| 2 | 364 | 0.79 | 0.89 | 49 | empty |
| 3 | 691 | 0.76 | 0.82 | 57 | empty |
| 4 | 87 | 0.75 | 0.96 | 20 | empty |
| 5 | 60 | 0.72 | 0.98 | 17 | empty |
Interfaces
5 interfaces between chains.
- A–B · 5769 Ų buried · 73 hydrogen bonds · protein-nucleic
- B–C · 974 Ų buried · 71 hydrogen bonds · nucleic-nucleic
- A–C · 859 Ų buried · 6 hydrogen bonds · protein-nucleic
- C–D · 574 Ų buried · 32 hydrogen bonds · nucleic-nucleic
- A–D · 517 Ų buried · 9 hydrogen bonds · protein-nucleic
Compared structures
- 7S4U · Cryo-EM structure of Cas9 in complex with 12-14MM DNA substrate, 5 minute time-point · 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 0.92
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 Q99ZW2
- Elsewhere: RCSB PDB 7S4U · PDBe 7S4U · UniProt Q99ZW2
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