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MolNFT v1 · #123904 · protein

NMR structure of foldswitch-stablized kaib in complex with pseudo receiver domain of cika from thermosynechococcus elongatus

5JYV · Two-component sensor histidine kinase: “NMR structure of foldswitch-stablized kaib in complex with pseudo receiver domain of cika from…”. Solution nmr, 2 pockets (best druggability 0.45). MolNFT v1 #123904 on GenesisL1: 3D…

PDB
5JYV
Type
protein
Length
223 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Two-component sensor histidine kinase; Circadian clock protein kaib
UniProt
Q8DKG0, Q79V61
Pockets
2 · best druggability 0.45

Structure

solution nmr · 2 distinct chains · 35% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATwo-component sensor histidine kinaseprotein11735% helix, 21% strandQ8DKG0
BCircadian clock protein kaibprotein10636% helix, 21% strandQ79V61

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11050.450.7922empty
2600.400.8015empty

Interfaces

1 interface between chains.

  • A–B · 1171 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 5JYV · NMR structure of foldswitch-stablized KaiB in complex with pseudo receiver domain of CikA… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q79V61 · AlphaFold monomer V2.0 prediction for circadian clock protein kaib (Q79V61) · a predicted model of the same protein · chain B against A, TM-score 0.71

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