MolNFT v1 · #74440 · protein
Structural insights into catalytic and substrate binding mechanisms of the strategic enda nuclease from streptococcus pneumoniae
3OWV · DNA-entry nuclease: “Structural insights into catalytic and substrate binding mechanisms of the strategic enda nuclease from…”. X-ray diffraction, 2 ligands (MG, CL), 3 pockets (best druggability 0.72). MolNFT v1 #74440 on…
- PDB
- 3OWV
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA-entry nuclease
- EC
- 3.1.30.-
- UniProt
- P0A3S3
- Ligands
- MG, CL
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-entry nuclease (EC 3.1.30.-) | protein | 218 | 17% helix, 32% strand | P0A3S3 |
| B | DNA-entry nuclease (EC 3.1.30.-) | protein | 224 | 17% helix, 32% strand | P0A3S3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 747 | 0.72 | 0.78 | 48 | empty |
| 2 | 83 | 0.34 | 0.75 | 20 | MG, CL |
| 3 | 59 | 0.29 | 0.75 | 19 | MG, CL |
Interfaces
1 interface between chains.
- A–B · 542 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3OWV · Structural insights into catalytic and substrate binding mechanisms of the strategic EndA… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A3S3 · AlphaFold monomer V2.0 prediction for DNA-entry nuclease (P0A3S3) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P0A3S3
- Elsewhere: RCSB PDB 3OWV · PDBe 3OWV · UniProt P0A3S3
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