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MolNFT v1 · #96707 · protein

Crystal structure of escherichia COLI hfq surface mutant

4JRK · Protein hfq: “Crystal structure of escherichia COLI hfq surface mutant”. X-ray diffraction, 1 pocket (best druggability 0.45). MolNFT v1 #96707 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4JRK
Type
protein
Length
192 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein hfq
UniProt
P0A6X3
Pockets
1 · best druggability 0.45

Structure

x-ray diffraction · 3 distinct chains · 21% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein hfqprotein6420% helix, 48% strandP0A6X3
BProtein hfqprotein6621% helix, 47% strandP0A6X3
CProtein hfqprotein6221% helix, 50% strandP0A6X3

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11440.450.7625empty

Interfaces

2 interfaces between chains.

  • A–B · 793 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 747 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 4JRK · Crystal Structure of Escherichia coli Hfq Surface Mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A6X3 · AlphaFold monomer V2.0 prediction for RNA-binding protein hfq (P0A6X3) · a predicted model of the same protein · chain C against A, TM-score 0.99

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