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Crystal structure of bioq with its naturel double-stranded DNA operator

Analyse Crystal structure of bioq with its naturel double-stranded DNA operator in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YEJ
Type
protein + DNA
Length
560 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tetr family transcriptional regulator; DNA (5'…
UniProt
I7FDJ0
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 4 distinct chains · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CTetr family transcriptional regulatorprotein16975% helix, 0% strandI7FDJ0
BTetr family transcriptional regulatorprotein16576% helix, 0% strandI7FDJ0
D, GDNA (5'- D(*AP*CP*CP*TP*GP*AP*AP*CP*AP*CP*CP*GP*TP*TP*CP*AP*AP*GP*T)-3')dna19——
FDNA (5'- D(*AP*CP*TP*TP*GP*AP*AP*CP*GP*GP*TP*GP*TP*TP*CP*AP*GP*GP*T)-3')dna19——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16180.700.7847empty
2850.400.7813empty

Interfaces

7 interfaces between chains.

  • B–C · 1059 Ų buried · 8 hydrogen bonds · protein-protein
  • D–F · 846 Ų buried · 73 hydrogen bonds · nucleic-nucleic
  • D–C · 422 Ų buried · 3 hydrogen bonds · protein-nucleic
  • B–D · 383 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–G · 377 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 5YEJ · Crystal structure of BioQ with its naturel double-stranded DNA operator · the same entry in another collection · chain A against A, TM-score 1.00

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