MolNFT v1 · #152377 · protein + RNA
Crystal structure of ACRIIA2-SPYCAS9-sgrna ternary complex
6IFO · CRISPR-associated endonuclease CAS9/CSN1: “Crystal structure of ACRIIA2-SPYCAS9-sgrna ternary complex”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #152377 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6IFO
- Type
- protein + RNA
- Length
- 3,131 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS9/CSN1; RNA (99-mer); ACRIIA2
- EC
- 3.1.-.-
- UniProt
- Q99ZW2
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 5 distinct chains · 44% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | CRISPR-associated endonuclease CAS9/CSN1 (EC 3.1.-.-) | protein | 1360 | 47% helix, 11% strand | Q99ZW2 |
| C | RNA (99-mer) | rna | 88 | — | — |
| D | RNA (99-mer) | rna | 90 | — | — |
| F | ACRIIA2 | protein | 118 | 26% helix, 24% strand | — |
| E | ACRIIA2 | protein | 115 | 25% helix, 27% strand | — |
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 | 1196 | 0.86 | 0.88 | 125 | empty |
| 2 | 600 | 0.83 | 0.89 | 55 | empty |
| 3 | 1124 | 0.77 | 0.79 | 101 | empty |
| 4 | 750 | 0.75 | 0.80 | 70 | empty |
| 5 | 99 | 0.75 | 0.96 | 22 | empty |
Interfaces
7 interfaces between chains.
- B–D · 6863 Ų buried · 158 hydrogen bonds · protein-nucleic
- A–C · 6388 Ų buried · 147 hydrogen bonds · protein-nucleic
- A–E · 1725 Ų buried · 27 hydrogen bonds · protein-protein
- B–F · 1660 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 244 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6IFO · Crystal structure of AcrIIA2-SpyCas9-sgRNA ternary complex · the same entry in another collection · chain E against E, 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 B against A, TM-score 0.79
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 6IFO · PDBe 6IFO · UniProt Q99ZW2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.