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Crystal structure of RNA-polymerase sigma subunit domain 2 complexed with -10 promoter element ssdna oligo (tataat)

Analyse Crystal structure of RNA-polymerase sigma subunit domain 2 complexed with -10… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3UGP
Type
protein + DNA
Length
194 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA polymerase sigma factor; 5'-D(*TP*GP*TP*AP*TP*AP*AP*TP*GP*GP*G)-3'
UniProt
Q9EZJ8
Ligands
K
Pockets
2 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA polymerase sigma factorprotein17974% helix, 0% strandQ9EZJ8
B5'-D(*TP*GP*TP*AP*TP*AP*AP*TP*GP*GP*G)-3'dna10——
C5'-D(*TP*GP*TP*AP*TP*AP*AP*TP*GP*GP*G)-3'dna5——

Ligands and binding sites

  • K · Potassium ion · metal · 5 copies · chains B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1890.610.8818empty
2670.350.7712empty

Interfaces

2 interfaces between chains.

  • A–B · 950 Ų buried · 17 hydrogen bonds · protein-nucleic
  • B–C · 108 Ų buried · 2 hydrogen bonds · nucleic-nucleic

Compared structures

  • 3UGP · Crystal structure of RNA-polymerase sigma subunit domain 2 complexed with -10 promoter… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9EZJ8 · AlphaFold monomer V2.0 prediction for RNA polymerase sigma factor siga (Q9EZJ8) · a predicted model of the same protein · chain A against A, TM-score 0.87

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