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Structure of truncated ecmaze-DNA complex

Analyse Structure of truncated ecmaze-DNA complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2MRU
Type
protein + DNA
Length
130 residues
Chains
4
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antitoxin maze; DNA (5'-D(*CP*GP*TP*GP*AP*TP*AP*TP*AP*TP*AP*GP*TP*GP*C)- 3'); DNA…
UniProt
P0AE72
Pockets
2 · best druggability 0.40

Structure

solution nmr · 3 distinct chains · 14% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAntitoxin mazeprotein5014% helix, 54% strandP0AE72
XDNA (5'-D(*CP*GP*TP*GP*AP*TP*AP*TP*AP*TP*AP*GP*TP*GP*C)- 3')dna15——
YDNA (5'-D(P*GP*CP*AP*CP*TP*AP*TP*AP*TP*AP*TP*CP*AP*CP*G)- 3')dna15——

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.400.7520empty
2580.260.7311empty

Interfaces

6 interfaces between chains.

  • A–B · 1838 Ų buried · 26 hydrogen bonds · protein-protein
  • X–Y · 685 Ų buried · 70 hydrogen bonds · nucleic-nucleic
  • A–Y · 378 Ų buried · 12 hydrogen bonds · protein-nucleic
  • B–X · 332 Ų buried · 8 hydrogen bonds · protein-nucleic
  • A–X · 250 Ų buried · 7 hydrogen bonds · protein-nucleic

Compared structures

  • 2MRU · Structure of truncated EcMazE-DNA complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AE72 · AlphaFold monomer V2.0 prediction for antitoxin maze (P0AE72) · a predicted model of the same protein · chain A against A, TM-score 0.85

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