MolNFT v1 · #153399 · protein
Crystal structure of anti-CRISPR protein ACRIIC2 dimer
6JD7: “Crystal structure of anti-CRISPR protein ACRIIC2 dimer”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.48). MolNFT v1 #153399 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6JD7
- Type
- protein
- Length
- 353 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ACRIIC2
- UniProt
- A0A3E2QCQ3
- Ligands
- MG
- Pockets
- 3 · best druggability 0.48
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ACRIIC2 | protein | 118 | 29% helix, 30% strand | A0A3E2QCQ3 |
| B | ACRIIC2 | protein | 117 | 29% helix, 30% strand | A0A3E2QCQ3 |
| C | ACRIIC2 | protein | 118 | 29% helix, 29% strand | A0A3E2QCQ3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.48 | 0.86 | 18 | empty |
| 2 | 103 | 0.33 | 0.73 | 18 | empty |
| 3 | 79 | 0.33 | 0.74 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1402 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 154 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 97 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6JD7 · Crystal structure of anti-CRISPR protein AcrIIC2 dimer · 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 A0A3E2QCQ3
- Elsewhere: RCSB PDB 6JD7 · PDBe 6JD7 · UniProt A0A3E2QCQ3
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