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Crystal structure of streptococcus thermophilus shp pheromone receptor RGG3 bound to DNA

Analyse Crystal structure of streptococcus thermophilus shp pheromone receptor RGG3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6W1F
Type
protein + DNA
Length
620 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Positive transcriptional regulator mutr family; DNA (30-mer)
UniProt
Q5M4D0
Pockets
11 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 70% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPositive transcriptional regulator mutr familyprotein28070% helix, 3% strandQ5M4D0
EDNA (30-mer)dna30——
FDNA (30-mer)dna30——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19590.810.8286empty
25590.760.8353empty
34470.750.8442empty
42380.560.7827empty
5820.440.8023empty

Interfaces

6 interfaces between chains.

  • A–B · 2746 Ų buried · 15 hydrogen bonds · protein-protein
  • E–F · 1242 Ų buried · 69 hydrogen bonds · nucleic-nucleic
  • B–F · 389 Ų buried · 5 hydrogen bonds · protein-nucleic
  • A–E · 368 Ų buried · 6 hydrogen bonds · protein-nucleic
  • B–E · 317 Ų buried · 10 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6W1F · Crystal structure of Streptococcus thermophilus SHP pheromone receptor Rgg3 bound to DNA · the same entry in another collection · chain A against A, TM-score 1.00

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