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Structure of luxr with DNA (repression)

Analyse Structure of luxr with DNA (repression) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AMN
Type
protein + DNA
Length
417 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hth-type transcriptional regulator luxr; DNA (5'…
UniProt
B4X9Q4
Pockets
6 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BHth-type transcriptional regulator luxrprotein18673% helix, 0% strandB4X9Q4
AHth-type transcriptional regulator luxrprotein18972% helix, 0% strandB4X9Q4
EDNA (5'- D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)- 3')dna21——
FDNA (5'- D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)- 3')dna21——

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11910.800.9430empty
21260.770.9523empty
3750.720.9622empty
4710.610.9017empty
51740.570.8138empty

Interfaces

6 interfaces between chains.

  • B–A · 1953 Ų buried · 26 hydrogen bonds · protein-protein
  • E–F · 922 Ų buried · 91 hydrogen bonds · nucleic-nucleic
  • A–F · 521 Ų buried · 18 hydrogen bonds · protein-nucleic
  • B–E · 521 Ų buried · 15 hydrogen bonds · protein-nucleic
  • A–E · 503 Ų buried · 5 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7AMN · Structure of LuxR with DNA (repression) · the same entry in another collection · chain B against B, TM-score 1.00

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