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MolNFT v1 · #95449 · protein

Crystal structure of uncharacterized protein from salmonella enterica subsp. enterica serovar typhimurium str. 14028S

4IQN · Putative cytoplasmic protein: “Crystal structure of uncharacterized protein from salmonella enterica subsp. enterica serovar typhimurium…”. X-ray diffraction, 8 pockets (best druggability 0.84). MolNFT v1 #95449 on GenesisL1: 3D…

PDB
4IQN
Type
protein
Length
661 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative cytoplasmic protein
UniProt
D0ZRV8
Pockets
8 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative cytoplasmic proteinprotein22238% helix, 15% strandD0ZRV8
BPutative cytoplasmic proteinprotein21938% helix, 15% strandD0ZRV8
CPutative cytoplasmic proteinprotein22038% helix, 15% strandD0ZRV8

Ligands and binding sites

  • PEG · Di(hydroxyethyl)ether · additive · chains B
  • PG4 · Tetraethylene glycol · additive · chains C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12300.840.9727empty
29490.780.8077empty
32150.470.7429empty
4970.440.7818empty
5950.370.7620empty

Interfaces

3 interfaces between chains.

  • A–B · 989 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 477 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 140 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 33 modified (engineered, methylation).

Compared structures

  • 4IQN · Crystal structure of uncharacterized protein from Salmonella enterica subsp. enterica… · the same entry in another collection · chain A against A, TM-score 1.00

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