MolNFT v1 · #187194 · protein + DNA + RNA
CAS9 bound to 12-14MM DNA, 60 min time-point, kinked conformation
7S4V · CRISPR-associated endonuclease CAS9/CSN1: “CAS9 bound to 12-14MM DNA, 60 min time-point, kinked conformation”. Electron microscopy, 20 pockets (best druggability 0.84). MolNFT v1 #187194 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7S4V
- Type
- protein + DNA + RNA
- Length
- 1,267 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS9/CSN1; Grna; Ts; Nts
- EC
- 3.1.-.-
- UniProt
- Q99ZW2
- Pockets
- 20 · best druggability 0.84
Structure
electron microscopy · 4 distinct chains · 45% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated endonuclease CAS9/CSN1 (EC 3.1.-.-) | protein | 1122 | 45% helix, 11% strand | Q99ZW2 |
| B | Grna | rna | 98 | — | — |
| C | Ts | dna | 33 | — | — |
| D | Nts | dna | 14 | — | — |
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 913 | 0.84 | 0.86 | 83 | empty |
| 2 | 944 | 0.79 | 0.81 | 101 | empty |
| 3 | 966 | 0.77 | 0.80 | 83 | empty |
| 4 | 179 | 0.75 | 0.92 | 24 | empty |
| 5 | 74 | 0.72 | 0.97 | 24 | empty |
Interfaces
5 interfaces between chains.
- A–B · 6289 Ų buried · 79 hydrogen bonds · protein-nucleic
- A–C · 1267 Ų buried · 16 hydrogen bonds · protein-nucleic
- B–C · 980 Ų buried · 46 hydrogen bonds · nucleic-nucleic
- C–D · 583 Ų buried · 29 hydrogen bonds · nucleic-nucleic
- A–D · 525 Ų buried · 4 hydrogen bonds · protein-nucleic
Compared structures
- 7S4V · Cas9 bound to 12-14MM DNA, 60 min time-point, kinked conformation · 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 0.93
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 7S4V · PDBe 7S4V · UniProt Q99ZW2
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