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Crystal structure of a mycobacteriophage cluster A2 immunity REPRESSOR:DNA complex

Analyse Crystal structure of a mycobacteriophage cluster A2 immunity REPRESSOR:DNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7R6R
Type
protein + DNA
Length
209 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Immunity repressor; DNA (5'- D(P*TP*TP*TP*CP*GP*GP*TP*GP*GP*CP*TP*GP*TP*CP*AP*AP*GP*CP*GP*…
UniProt
A0A2D1GKF7
Pockets
4 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 49% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AImmunity repressorprotein16749% helix, 9% strandA0A2D1GKF7
BDNA (5'- D(P*TP*TP*TP*CP*GP*GP*TP*GP*GP*CP*TP*GP*TP*CP*AP*AP*GP*CP*GP*GP*G)- 3')dna21——
CDNA (5'- D(P*CP*CP*CP*GP*CP*TP*TP*GP*AP*CP*AP*GP*CP*CP*AP*CP*CP*GP*AP*AP*A)- 3')dna21——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13870.580.7638empty
2540.340.7812empty
3640.300.7511empty
4510.290.7616empty

Interfaces

3 interfaces between chains.

  • B–C · 939 Ų buried · 69 hydrogen bonds · nucleic-nucleic
  • A–C · 929 Ų buried · 22 hydrogen bonds · protein-nucleic
  • A–B · 806 Ų buried · 16 hydrogen bonds · protein-nucleic

Compared structures

  • 7R6R · Crystal Structure of a Mycobacteriophage Cluster A2 Immunity Repressor:DNA Complex · the same entry in another collection · chain A against A, TM-score 1.00

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