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MolNFT v1 · #5812 · protein

The crystal structure of E. COLI fis mutant R71Y

1ETQ · Factor for inversion stimulation: “The crystal structure of E. COLI fis mutant R71Y”. X-ray diffraction, 2 pockets (best druggability 0.48). MolNFT v1 #5812 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1ETQ
Type
protein
Length
319 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Factor for inversion stimulation
UniProt
P0A6R3
Pockets
2 · best druggability 0.48

Structure

x-ray diffraction · 4 distinct chains · 66% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFactor for inversion stimulationprotein8561% helix, 7% strandP0A6R3
BFactor for inversion stimulationprotein7667% helix, 5% strandP0A6R3
CFactor for inversion stimulationprotein7769% helix, 3% strandP0A6R3
DFactor for inversion stimulationprotein8167% helix, 5% strandP0A6R3

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11910.480.7624empty
2680.310.7415empty

Interfaces

3 interfaces between chains.

  • C–D · 2144 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 2140 Ų buried · 21 hydrogen bonds · protein-protein
  • B–D · 122 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 1ETQ · The crystal structure of E. COLI fis mutant R71Y · the same entry in another collection · chain D against D, TM-score 1.00
  • P0A6R3 · AlphaFold monomer V2.0 prediction for DNA-binding protein fis (P0A6R3) · a predicted model of the same protein · chain D against A, TM-score 0.97

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