MolNFT v1 · #116904 · protein + DNA
Crystal structure the escherichia COLI CAS1-CAS2 complex bound to protospacer DNA
5DS4 · CRISPR-associated endonuclease CAS1: “Crystal structure the escherichia COLI CAS1-CAS2 complex bound to protospacer DNA”. X-ray diffraction, 15 pockets (best druggability 0.79). MolNFT v1 #116904 on GenesisL1: 3D structure, binding…
- PDB
- 5DS4
- Type
- protein + DNA
- Length
- 1,274 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 (28-mer)
- EC
- 3.1.-.-
- UniProt
- Q46896, P45956
- Pockets
- 15 · best druggability 0.79
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, 13% strand | Q46896 |
| B | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 268 | 54% helix, 15% strand | Q46896 |
| C | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 254 | 56% helix, 14% strand | Q46896 |
| D | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 253 | 55% helix, 16% 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 | 22% helix, 46% strand | P45956 |
| G | DNA (28-mer) | dna | 28 | — | — |
| H | DNA (28-mer) | dna | 28 | — | — |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1161 | 0.79 | 0.81 | 82 | empty |
| 2 | 870 | 0.76 | 0.80 | 53 | empty |
| 3 | 572 | 0.76 | 0.83 | 40 | empty |
| 4 | 681 | 0.72 | 0.79 | 46 | empty |
| 5 | 690 | 0.71 | 0.78 | 43 | empty |
Interfaces
20 interfaces between chains.
- A–B · 1781 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1706 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1249 Ų buried · 7 hydrogen bonds · protein-protein
- G–H · 999 Ų buried · 103 hydrogen bonds · nucleic-nucleic
- B–F · 795 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 5DS4 · Crystal structure the Escherichia coli Cas1-Cas2 complex bound to protospacer DNA · 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 0.98
- 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 5DS4 · PDBe 5DS4 · UniProt Q46896 · UniProt P45956
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