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Structure of the two-component response regulator rcsb-DNA complex

Analyse Structure of the two-component response regulator rcsb-DNA complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5W43
Type
protein + DNA
Length
440 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulatory protein rcsb; DNA (5'…
UniProt
P0DMC7
Pockets
5 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulatory protein rcsbprotein20249% helix, 14% strandP0DMC7
BTranscriptional regulatory protein rcsbprotein19446% helix, 13% strandP0DMC7
EDNA (5'- D(*GP*AP*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*AP*TP*A)- 3')dna22——
FDNA (5'- D(*TP*AP*TP*CP*TP*AP*AP*GP*AP*TP*TP*TP*TP*TP*CP*CP*TP*AP*AP*AP*TP*C)- 3')dna22——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110600.760.7887empty
23130.680.8340empty
31560.470.7719empty
41660.420.7419empty
5590.370.7914empty

Interfaces

6 interfaces between chains.

  • A–B · 1109 Ų buried · 0 hydrogen bonds · protein-protein
  • E–F · 951 Ų buried · 90 hydrogen bonds · nucleic-nucleic
  • B–F · 453 Ų buried · 11 hydrogen bonds · protein-nucleic
  • A–E · 449 Ų buried · 10 hydrogen bonds · protein-nucleic
  • A–F · 367 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 5W43 · Structure of the two-component response regulator RcsB-DNA complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P0DMC7 · AlphaFold monomer V2.0 prediction for transcriptional regulatory protein rcsb (P0DMC7) · a predicted model of the same protein · chain A against A, TM-score 0.86

Analyse

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