MolNFT v1 · #189735 · protein + RNA
Crystal structure of the CAS13BT3-crrna binary complex
7VTI: “Crystal structure of the CAS13BT3-crrna binary complex”. X-ray diffraction, 3 ligands (MG, CL, BR), 10 pockets (best druggability 0.83). MolNFT v1 #189735 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7VTI
- Type
- protein + RNA
- Length
- 776 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CAS13BT3; Crrna
- UniProt
- A0A660UUL5
- Ligands
- MG, CL, BR
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CAS13BT3 | protein | 736 | 59% helix, 9% strand | A0A660UUL5 |
| B | Crrna | rna | 40 | — | — |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A, B
- CL · Chloride ion · ion · 5 copies · chains A
- BR · Bromide ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 22 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 783 | 0.83 | 0.87 | 70 | EDO, MG |
| 2 | 680 | 0.78 | 0.83 | 61 | EDO |
| 3 | 404 | 0.69 | 0.81 | 40 | EDO |
| 4 | 214 | 0.63 | 0.82 | 28 | CL |
| 5 | 194 | 0.52 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 3576 Ų buried · 82 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 7VTI · Crystal structure of the Cas13bt3-crRNA binary complex · 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 A0A660UUL5
- Elsewhere: RCSB PDB 7VTI · PDBe 7VTI · UniProt A0A660UUL5
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