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Crystal structures of nuclease-COLE7 complexed with octamer DNA

Analyse Crystal structures of nuclease-COLE7 complexed with octamer DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1PT3
Type
protein + DNA
Length
304 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-gcgatcgc-3'; Colicin E7
EC
3.1.-.-
UniProt
Q47112
Pockets
8 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, D, G, H, E, F5'-gcgatcgc-3'dna8——
A, BColicin E7 (EC 3.1.-.-)protein12840% helix, 17% strandQ47112

Pockets

8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13370.630.7930empty
23050.600.7830empty
32180.490.7630empty
41650.440.7526empty
5980.430.7913empty

Interfaces

19 interfaces between chains.

  • C–A · 467 Ų buried · 11 hydrogen bonds · protein-nucleic
  • E–B · 457 Ų buried · 10 hydrogen bonds · protein-nucleic
  • E–F · 368 Ų buried · 33 hydrogen bonds · nucleic-nucleic
  • C–D · 367 Ų buried · 33 hydrogen bonds · nucleic-nucleic
  • G–H · 365 Ų buried · 35 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1PT3 · Crystal structures of nuclease-ColE7 complexed with octamer DNA · the same entry in another collection · chain B against B, TM-score 1.00
  • Q47112 · AlphaFold monomer V2.0 prediction for colicin-E7 (Q47112) · a predicted model of the same protein · chain A against A, TM-score 0.97

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