MolNFT v1 · #177605 · protein + RNA
Crystal structure of CAS and anti-CAS protein complex
7ENR · CRISPR-associated endonuclease CAS9: “Crystal structure of CAS and anti-CAS protein complex”. X-ray diffraction, 17 pockets (best druggability 0.84). MolNFT v1 #177605 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7ENR
- Type
- protein + RNA
- Length
- 1,236 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS9; Sgrna (98-mer); ACRIIA14
- EC
- 3.1.-.-
- UniProt
- J7RUA5
- Pockets
- 17 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated endonuclease CAS9 (EC 3.1.-.-) | protein | 1048 | 43% helix, 15% strand | J7RUA5 |
| B | Sgrna (98-mer) | rna | 91 | — | — |
| C | ACRIIA14 | protein | 97 | 25% helix, 37% strand | — |
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 | 1062 | 0.84 | 0.85 | 106 | empty |
| 2 | 1130 | 0.82 | 0.84 | 68 | empty |
| 3 | 747 | 0.72 | 0.78 | 60 | empty |
| 4 | 509 | 0.69 | 0.80 | 74 | empty |
| 5 | 787 | 0.67 | 0.75 | 84 | empty |
Interfaces
2 interfaces between chains.
- A–B · 6116 Ų buried · 127 hydrogen bonds · protein-nucleic
- A–C · 865 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7ENR · Crystal structure of cas and anti-cas protein complex · the same entry in another collection · chain A against A, TM-score 1.00
- J7RUA5 · AlphaFold monomer V2.0 prediction for CRISPR-associated endonuclease CAS9 (J7RUA5) · a predicted model of the same protein · chain A against A, TM-score 0.81
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 J7RUA5
- Elsewhere: RCSB PDB 7ENR · PDBe 7ENR · UniProt J7RUA5
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