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DNA binding domain of restriction endonuclease bound to DNA

Analyse DNA binding domain of restriction endonuclease bound to DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3SSD
Type
protein + DNA
Length
327 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5-methylcytosine-specific restriction enzyme B; DNA…
EC
3.1.21.-
UniProt
P15005
Pockets
3 · best druggability 0.62

Structure

x-ray diffraction · 4 distinct chains · 29% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5-methylcytosine-specific restriction enzyme B (EC 3.1.21.-)protein15530% helix, 30% strandP15005
B5-methylcytosine-specific restriction enzyme B (EC 3.1.21.-)protein14829% helix, 26% strandP15005
CDNA (5'-D(*T*GP*AP*GP*AP*(5CM)P*CP*GP*GP*TP*AP*GP*C)-3')dna12——
DDNA (5'-D(*A*GP*CP*TP*AP*CP*CP*GP*GP*TP*CP*TP*C)-3')dna12——

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12380.620.8225empty
21880.590.8227empty
34600.570.7430empty

Interfaces

6 interfaces between chains.

  • B–C · 631 Ų buried · 19 hydrogen bonds · protein-nucleic
  • A–D · 618 Ų buried · 15 hydrogen bonds · protein-nucleic
  • C–D · 509 Ų buried · 44 hydrogen bonds · nucleic-nucleic
  • B–D · 342 Ų buried · 8 hydrogen bonds · protein-nucleic
  • A–C · 322 Ų buried · 9 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 3SSD · DNA binding domain of restriction endonuclease bound to DNA · the same entry in another collection · chain A against A, TM-score 1.00
  • P15005 · AlphaFold monomer V2.0 prediction for 5-methylcytosine-specific restriction enzyme B… · a predicted model of the same protein · chain B against A, TM-score 0.99

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