MolNFT v1 · #116906 · protein + DNA
Crystal structure the escherichia COLI CAS1-CAS2 complex bound to protospacer DNA with splayed ends
5DS6 · CRISPR-associated endonuclease CAS1: “Crystal structure the escherichia COLI CAS1-CAS2 complex bound to protospacer DNA with splayed ends”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT v1 #116906 on GenesisL1: 3D…
- PDB
- 5DS6
- Type
- protein + DNA
- Length
- 1,275 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS1; CRISPR-associated endoribonuclease CAS2; DNA…
- EC
- 3.1.-.-
- UniProt
- Q46896, P45956
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 8 distinct chains · 50% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 256 | 55% helix, 14% strand | Q46896 |
| B | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 268 | 53% helix, 15% strand | Q46896 |
| C | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 254 | 54% helix, 14% strand | Q46896 |
| D | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 253 | 55% helix, 14% strand | Q46896 |
| E | CRISPR-associated endoribonuclease CAS2 (EC 3.1.-.-) | protein | 93 | 25% helix, 46% strand | P45956 |
| F | CRISPR-associated endoribonuclease CAS2 (EC 3.1.-.-) | protein | 94 | 24% helix, 46% strand | P45956 |
| G | DNA (29-mer) | dna | 29 | — | — |
| H | DNA (28-mer) | dna | 28 | — | — |
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1118 | 0.80 | 0.81 | 74 | empty |
| 2 | 847 | 0.78 | 0.81 | 51 | empty |
| 3 | 617 | 0.75 | 0.82 | 39 | empty |
| 4 | 239 | 0.70 | 0.86 | 43 | empty |
| 5 | 714 | 0.70 | 0.78 | 41 | empty |
Interfaces
20 interfaces between chains.
- A–B · 1742 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1710 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1233 Ų buried · 6 hydrogen bonds · protein-protein
- G–H · 995 Ų buried · 94 hydrogen bonds · nucleic-nucleic
- B–F · 805 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 5DS6 · Crystal structure the Escherichia coli Cas1-Cas2 complex bound to protospacer DNA with… · the same entry in another collection · chain H against H, TM-score 1.00
- Q46896 · AlphaFold monomer V2.0 prediction for CRISPR-associated endonuclease CAS1 (Q46896) · a predicted model of the same protein · chain D against A, TM-score 0.97
- P45956 · AlphaFold monomer V2.0 prediction for CRISPR-associated endoribonuclease CAS2 (P45956) · a predicted model of the same protein · chain F against A, TM-score 0.97
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 Q46896
- Every structure of UniProt P45956
- Elsewhere: RCSB PDB 5DS6 · PDBe 5DS6 · UniProt Q46896 · UniProt P45956
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