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MolNFT v1 · #69553 · protein + RNA

Crystal structure of the SRP19/S-domain srp RNA complex of sulfolobus solfataricus

3KTW · Signal recognition particle 19 kda protein: “Crystal structure of the SRP19/S-domain srp RNA complex of sulfolobus solfataricus”. X-ray diffraction, 2 ligands (MG, K), 10 pockets (best druggability 0.74). MolNFT v1 #69553 on…

PDB
3KTW
Type
protein + RNA
Length
376 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Signal recognition particle 19 kda protein; Srp RNA
UniProt
Q980W2
Ligands
MG, K
Pockets
10 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 37% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASignal recognition particle 19 kda proteinprotein9237% helix, 13% strandQ980W2
BSignal recognition particle 19 kda proteinprotein9338% helix, 13% strandQ980W2
CSrp RNArna96——
DSrp RNArna95——

Ligands and binding sites

  • MG · Magnesium ion · metal · 6 copies · chains B, C, A, D
  • K · Potassium ion · metal · 4 copies · chains D, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19700.740.7872K, MG
27730.700.7743empty
36350.680.7835empty
43980.580.7629K, MG
51230.420.7713empty

Interfaces

5 interfaces between chains.

  • B–D · 1340 Ų buried · 43 hydrogen bonds · protein-nucleic
  • A–C · 1338 Ų buried · 44 hydrogen bonds · protein-nucleic
  • C–D · 178 Ų buried · 3 hydrogen bonds · nucleic-nucleic
  • B–C · 177 Ų buried · 0 hydrogen bonds · protein-nucleic
  • A–D · 69 Ų buried · 2 hydrogen bonds · protein-nucleic

Compared structures

  • 3KTW · Crystal structure of the SRP19/S-domain SRP RNA complex of Sulfolobus solfataricus · the same entry in another collection · chain A against A, TM-score 1.00
  • Q980W2 · AlphaFold monomer V2.0 prediction for signal recognition particle 19 kda protein (Q980W2) · a predicted model of the same protein · chain B against A, TM-score 0.93

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