MolNFT v1 · #112691 · protein + RNA
Crystal structure of catalytically-active streptococcus pyogenes CAS9 in complex with single-guide RNA at 2.9 ångström resolution
4ZT0 · CRISPR-associated endonuclease CAS9: “Crystal structure of catalytically-active streptococcus pyogenes CAS9 in complex with single-guide RNA at 2.9…”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #112691 on…
- PDB
- 4ZT0
- Type
- protein + RNA
- Length
- 2,804 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS9; Single-guide RNA
- EC
- 3.1.-.-
- UniProt
- A0A0C6FZC2
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated endonuclease CAS9 (EC 3.1.-.-) | protein | 1364 | 46% helix, 12% strand | A0A0C6FZC2 |
| B, D | Single-guide RNA | rna | 72 | — | — |
| C | CRISPR-associated endonuclease CAS9 (EC 3.1.-.-) | protein | 1296 | 47% helix, 12% strand | A0A0C6FZC2 |
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 | 848 | 0.83 | 0.85 | 83 | empty |
| 2 | 1117 | 0.82 | 0.84 | 104 | empty |
| 3 | 1055 | 0.77 | 0.80 | 88 | empty |
| 4 | 859 | 0.77 | 0.80 | 85 | empty |
| 5 | 1103 | 0.76 | 0.79 | 88 | empty |
Interfaces
3 interfaces between chains.
- C–D · 5654 Ų buried · 127 hydrogen bonds · protein-nucleic
- A–B · 5531 Ų buried · 111 hydrogen bonds · protein-nucleic
- B–D · 205 Ų buried · 7 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 41 modified (engineered).
Compared structures
- 4ZT0 · Crystal structure of catalytically-active Streptococcus pyogenes Cas9 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A0C6FZC2
- Elsewhere: RCSB PDB 4ZT0 · PDBe 4ZT0 · UniProt A0A0C6FZC2
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