MolNFT v1 · #74214 · protein
Structure of a CRISPR associated protein CAS2 from desulfovibrio vulgaris
3OQ2 · CRISPR-associated protein CAS2: “Structure of a CRISPR associated protein CAS2 from desulfovibrio vulgaris”. X-ray diffraction, 3 ligands (NA, SO4, CL), 1 pocket (best druggability 0.43). MolNFT v1 #74214 on GenesisL1: 3D structure…
- PDB
- 3OQ2
- Type
- protein
- Length
- 201 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR-associated protein CAS2
- UniProt
- Q72WF4
- Ligands
- NA, SO4, CL
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR-associated protein CAS2 | protein | 99 | 35% helix, 32% strand | Q72WF4 |
| B | CRISPR-associated protein CAS2 | protein | 102 | 30% helix, 31% strand | Q72WF4 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- CL · Chloride ion · ion · chains A
- CIT · Citric acid · additive · 3 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 146 | 0.43 | 0.75 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1404 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 3OQ2 · Structure of a CRISPR associated protein Cas2 from Desulfovibrio vulgaris · the same entry in another collection · chain A against A, TM-score 1.00
- Q72WF4 · AlphaFold monomer V2.0 prediction for CRISPR-associated endoribonuclease CAS2 (Q72WF4) · a predicted model of the same protein · chain B against A, TM-score 0.87
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 Q72WF4
- Elsewhere: RCSB PDB 3OQ2 · PDBe 3OQ2 · UniProt Q72WF4
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