Research workbench
Crystal structure of CAS1 from pectobacterium atrosepticum
Analyse Crystal structure of CAS1 from pectobacterium atrosepticum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5FCL
- Type
- protein
- Length
- 1,861 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated endonuclease CAS1
- EC
- 3.1.-.-
- UniProt
- Q6D0X0
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 5 distinct chains · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 314 | 53% helix, 11% strand | Q6D0X0 |
| C | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 311 | 54% helix, 12% strand | Q6D0X0 |
| D | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 312 | 53% helix, 15% strand | Q6D0X0 |
| E | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 301 | 56% helix, 12% strand | Q6D0X0 |
| F | CRISPR-associated endonuclease CAS1 (EC 3.1.-.-) | protein | 309 | 53% helix, 16% strand | Q6D0X0 |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.83 | 0.95 | 42 | empty |
| 2 | 206 | 0.83 | 0.97 | 34 | empty |
| 3 | 137 | 0.80 | 0.97 | 33 | empty |
| 4 | 757 | 0.79 | 0.83 | 107 | empty |
| 5 | 382 | 0.61 | 0.77 | 33 | empty |
Interfaces
9 interfaces between chains.
- A–B · 2142 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 2083 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 1845 Ų buried · 24 hydrogen bonds · protein-protein
- A–F · 401 Ų buried · 2 hydrogen bonds · protein-protein
- D–E · 275 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5FCL · Crystal structure of Cas1 from Pectobacterium atrosepticum · the same entry in another collection · chain F against F, TM-score 1.00
- Q6D0X0 · AlphaFold monomer V2.0 prediction for CRISPR-associated endonuclease CAS1 (Q6D0X0) · a predicted model of the same protein · chain F against A, TM-score 0.99
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 Q6D0X0
- Elsewhere: RCSB PDB 5FCL · PDBe 5FCL · UniProt Q6D0X0
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