MolNFT v1 · #158876 · protein + RNA
Crystal structure of CSM1-CSM4 cassette in complex with CA3
6O79 · CRISPR system single-strand-specific deoxyribonuclease…: “Crystal structure of CSM1-CSM4 cassette in complex with CA3”. X-ray diffraction, 15 pockets (best druggability 0.82). MolNFT v1 #158876 on GenesisL1: 3D structure, binding…
- PDB
- 6O79
- Type
- protein + RNA
- Length
- 955 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR system single-strand-specific deoxyribonuclease CAS10/CSM1 (subtype III-a); CSM4…
- EC
- 3.1.-.-, 2.7.7.-
- UniProt
- B6YWB8, B6YWC1
- Pockets
- 15 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR system single-strand-specific deoxyribonuclease CAS10/CSM1 (subtype III-a) (EC 3.1.-.-, 2.7.7.-) | protein | 706 | 46% helix, 15% strand | B6YWB8 |
| B | CSM4 | protein | 246 | 28% helix, 32% strand | B6YWC1 |
| C | Cyclic RNA CA3 | rna | 3 | — | — |
Pockets
15 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1151 | 0.82 | 0.83 | 86 | empty |
| 2 | 145 | 0.80 | 0.97 | 30 | empty |
| 3 | 461 | 0.72 | 0.82 | 55 | empty |
| 4 | 143 | 0.52 | 0.80 | 24 | empty |
| 5 | 112 | 0.49 | 0.80 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1237 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 578 Ų buried · 12 hydrogen bonds · protein-nucleic
- B–C · 111 Ų buried · 0 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6O79 · Crystal structure of Csm1-Csm4 cassette in complex with cA3 · the same entry in another collection · chain A against A, TM-score 1.00
- B6YWB8 · AlphaFold monomer V2.0 prediction for CRISPR system single-strand- specific… · a predicted model of the same protein · chain A against A, TM-score 0.99
- B6YWC1 · AlphaFold monomer V2.0 prediction for CRISPR system cms protein CSM4 (B6YWC1) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 B6YWB8
- Every structure of UniProt B6YWC1
- Elsewhere: RCSB PDB 6O79 · PDBe 6O79 · UniProt B6YWB8 · UniProt B6YWC1
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