MolNFT v1 · #104531 · protein
Crystal structure of E.COLI CAS1-CAS2 complex
4QDL · CRISPR-associated endonuclease CAS1: “Crystal structure of E.COLI CAS1-CAS2 complex”. X-ray diffraction, 18 pockets (best druggability 0.74). MolNFT v1 #104531 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QDL
- Type
- protein
- Length
- 1,227 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS1; CRISPR-associated endoribonuclease CAS2
- EC
- 3.1.-.-
- UniProt
- Q46896, P45956
- Pockets
- 18 · best druggability 0.74
Structure
x-ray diffraction · 6 distinct chains · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 258 | 53% helix, 14% strand | Q46896 |
| B | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 272 | 53% helix, 15% strand | Q46896 |
| C | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 239 | 55% helix, 16% strand | Q46896 |
| D | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 271 | 53% helix, 15% strand | Q46896 |
| E | CRISPR-associated endoribonuclease CAS2 (EC 3.1.-.-) | protein | 93 | 26% helix, 43% strand | P45956 |
| F | CRISPR-associated endoribonuclease CAS2 (EC 3.1.-.-) | protein | 94 | 26% helix, 44% strand | P45956 |
Pockets
18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 261 | 0.74 | 0.88 | 32 | empty |
| 2 | 262 | 0.74 | 0.87 | 33 | empty |
| 3 | 196 | 0.60 | 0.82 | 33 | empty |
| 4 | 334 | 0.59 | 0.77 | 49 | empty |
| 5 | 248 | 0.56 | 0.78 | 39 | empty |
Interfaces
7 interfaces between chains.
- C–D · 1689 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1679 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 1110 Ų buried · 3 hydrogen bonds · protein-protein
- D–E · 693 Ų buried · 12 hydrogen bonds · protein-protein
- B–E · 661 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4QDL · Crystal structure of E.coli Cas1-Cas2 complex · the same entry in another collection · chain F against F, 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 E against A, TM-score 0.90
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 4QDL · PDBe 4QDL · UniProt Q46896 · UniProt P45956
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