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Crystal structure of ST1710 complexed with its promoter DNA

Analyse Crystal structure of ST1710 complexed with its promoter DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3GFI
Type
protein + DNA
Length
308 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
146AA long hypothetical transcriptional regulator…
UniProt
Q96ZY1
Pockets
4 · best druggability 0.66

Structure

x-ray diffraction · 4 distinct chains · 71% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A146AA long hypothetical transcriptional regulatorprotein14371% helix, 12% strandQ96ZY1
C146AA long hypothetical transcriptional regulatorprotein14271% helix, 8% strandQ96ZY1
D5'-D(*TP*AP*AP*CP*AP*AP*TP*AP*GP*CP*AP*AP*A)-3'dna13——
E5'-D(*TP*TP*GP*CP*TP*AP*TP*TP*GP*T)-3'dna10——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15430.660.7740empty
2900.320.7418empty
3550.300.7612empty
4540.290.7611empty

Interfaces

4 interfaces between chains.

  • A–C · 2923 Ų buried · 26 hydrogen bonds · protein-protein
  • D–E · 444 Ų buried · 42 hydrogen bonds · nucleic-nucleic
  • A–D · 223 Ų buried · 3 hydrogen bonds · protein-nucleic
  • A–E · 196 Ų buried · 1 hydrogen bond · protein-nucleic

Compared structures

  • 3GFI · Crystal structure of ST1710 complexed with its promoter DNA · the same entry in another collection · chain A against A, TM-score 1.00

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