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MolNFT v1 · #108299 · protein + RNA

Crystal structure of hfq in complex with the srna rydc

4V2S · RNA-binding protein hfq: “Crystal structure of hfq in complex with the srna rydc”. X-ray diffraction, 7 pockets (best druggability 0.79). MolNFT v1 #108299 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4V2S
Type
protein + RNA
Length
474 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA-binding protein hfq; Rydc
UniProt
P0A6X3
Pockets
7 · best druggability 0.79

Structure

x-ray diffraction · 7 distinct chains · 18% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA-binding protein hfqprotein7118% helix, 44% strandP0A6X3
BRNA-binding protein hfqprotein7019% helix, 44% strandP0A6X3
CRNA-binding protein hfqprotein6819% helix, 46% strandP0A6X3
DRNA-binding protein hfqprotein7115% helix, 44% strandP0A6X3
ERNA-binding protein hfqprotein6716% helix, 46% strandP0A6X3
FRNA-binding protein hfqprotein7017% helix, 44% strandP0A6X3
QRydcrna57——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19050.790.8254empty
23240.540.7619empty
3950.380.7619empty
41000.380.7518empty
51000.310.7215empty

Interfaces

12 interfaces between chains.

  • D–E · 834 Ų buried · 9 hydrogen bonds · protein-protein
  • E–F · 763 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 757 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 726 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 722 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 4V2S · Crystal structure of Hfq in complex with the sRNA RydC · the same entry in another collection · chain Q against Q, TM-score 1.00
  • P0A6X3 · AlphaFold monomer V2.0 prediction for RNA-binding protein hfq (P0A6X3) · a predicted model of the same protein · chain E against A, TM-score 0.96

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