MolNFT v1 · #162457 · protein + RNA
Crystal structure of CSX1 in complex with cyclic oligoadenylate COA4 conformation 2
6R9R · DNA (5'-R(P*AP*AP*AP*A)-3'): “Crystal structure of CSX1 in complex with cyclic oligoadenylate COA4 conformation 2”. X-ray diffraction, 13 pockets (best druggability 0.75). MolNFT v1 #162457 on GenesisL1: 3D structure, binding sites…
- PDB
- 6R9R
- Type
- protein + RNA
- Length
- 1,368 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'-R(P*AP*AP*AP*A)-3'); CRISPR-associated (CAS) dxthg family
- UniProt
- F0NE21
- Pockets
- 13 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | DNA (5'-R(P*AP*AP*AP*A)-3') | rna | 4 | — | — |
| E | DNA (5'-R(P*AP*AP*AP*A)-3') | rna | 2 | — | — |
| B, A, C | CRISPR-associated (CAS) dxthg family | protein | 454 | 53% helix, 13% strand | F0NE21 |
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.75 | 0.98 | 35 | empty |
| 2 | 65 | 0.73 | 0.99 | 17 | empty |
| 3 | 590 | 0.70 | 0.79 | 58 | empty |
| 4 | 347 | 0.65 | 0.80 | 44 | empty |
| 5 | 118 | 0.43 | 0.77 | 20 | empty |
Interfaces
4 interfaces between chains.
- B–A · 6602 Ų buried · 89 hydrogen bonds · protein-protein
- D–B · 576 Ų buried · 11 hydrogen bonds · protein-nucleic
- D–A · 561 Ų buried · 20 hydrogen bonds · protein-nucleic
- E–C · 503 Ų buried · 17 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 6R9R · Crystal structure of Csx1 in complex with cyclic oligoadenylate cOA4 conformation 2 · the same entry in another collection · chain D against D, 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 F0NE21
- Elsewhere: RCSB PDB 6R9R · PDBe 6R9R · UniProt F0NE21
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