MolNFT v1 · #78194 · protein
Characterization and crystal structure of the type iig restriction endonuclease bpusi
3S1S: “Characterization and crystal structure of the type iig restriction endonuclease bpusi”. X-ray diffraction, 3 ligands (SAH, MN, IOD), 6 pockets (best druggability 0.75). MolNFT v1 #78194 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3S1S
- Type
- protein
- Length
- 870 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Restriction endonuclease bpusi
- Ligands
- SAH, MN, IOD
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Restriction endonuclease bpusi | protein | 870 | 44% helix, 17% strand | — |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- IOD · Iodide ion · ion · 38 copies · chains A
- EDO · 1,2-ethanediol · additive · 20 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 690 | 0.75 | 0.81 | 76 | SAH, EDO, IOD |
| 2 | 378 | 0.68 | 0.81 | 46 | IOD |
| 3 | 344 | 0.59 | 0.76 | 36 | EDO, IOD |
| 4 | 238 | 0.53 | 0.77 | 30 | IOD |
| 5 | 76 | 0.50 | 0.84 | 15 | EDO, IOD |
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3S1S · Characterization and crystal structure of the type IIG restriction endonuclease BpuSI · the same entry in another collection · 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
- Elsewhere: RCSB PDB 3S1S · PDBe 3S1S
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