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Crystal structure and nuclease activity of the CRISPR-associated CAS4 protein PCAL_0546 from pyrobaculum calidifontis containing a [2FE-2S] cluster
Analyse Crystal structure and nuclease activity of the CRISPR-associated CAS4 protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4R5Q
- Type
- protein
- Length
- 215 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated exonuclease, CAS4 family
- UniProt
- A3MTK6
- Ligands
- FES, MG
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated exonuclease, CAS4 family | protein | 215 | 41% helix, 24% strand | A3MTK6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 334 | 0.65 | 0.80 | 32 | empty |
| 2 | 78 | 0.44 | 0.81 | 16 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4R5Q · Crystal structure and nuclease activity of the CRISPR-associated Cas4 protein Pcal_0546… · the same entry in another collection · chain A against A, TM-score 1.00
- A3MTK6 · AlphaFold monomer V2.0 prediction for CRISPR-associated exonuclease CAS4 (A3MTK6) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 A3MTK6
- Elsewhere: RCSB PDB 4R5Q · PDBe 4R5Q · UniProt A3MTK6
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