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Crystal structure of a hyperactive mutant of response regulator kdpe complexed to its promoter DNA

Analyse Crystal structure of a hyperactive mutant of response regulator kdpe complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4KFC
Type
protein + DNA
Length
507 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kdp operon transcriptional regulatory protein kdpe; Promoter DNA
UniProt
P21866
Pockets
9 · best druggability 0.53

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKdp operon transcriptional regulatory protein kdpeprotein22343% helix, 22% strandP21866
BKdp operon transcriptional regulatory protein kdpeprotein22440% helix, 23% strandP21866
YPromoter DNAdna30——
ZPromoter DNAdna30——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1850.530.8519empty
22550.490.7437empty
31920.450.7520empty
41290.450.7721empty
51210.430.7722empty

Interfaces

6 interfaces between chains.

  • Y–Z · 1368 Ų buried · 111 hydrogen bonds · nucleic-nucleic
  • A–B · 1174 Ų buried · 31 hydrogen bonds · protein-protein
  • A–Y · 427 Ų buried · 7 hydrogen bonds · protein-nucleic
  • B–Z · 397 Ų buried · 3 hydrogen bonds · protein-nucleic
  • A–Z · 382 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 4KFC · Crystal structure of a hyperactive mutant of response regulator KdpE complexed to its… · the same entry in another collection · chain A against A, TM-score 1.00
  • P21866 · AlphaFold monomer V2.0 prediction for kdp operon transcriptional regulatory protein kdpe… · a predicted model of the same protein · chain A against A, TM-score 0.73

Analyse

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