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MolNFT v1 · #80387 · protein

Crystal structure of putative peptide maturation protein from shigella flexneri

3TV9: “Crystal structure of putative peptide maturation protein from shigella flexneri”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.54). MolNFT v1 #80387 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3TV9
Type
protein
Length
436 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative peptide maturation protein
UniProt
Q7UAN7
Ligands
SO4
Pockets
4 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative peptide maturation proteinprotein43625% helix, 36% strandQ7UAN7

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12900.540.7546GOL
21970.450.7429SO4
3910.380.7618empty
4930.330.7323empty

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

  • 3TV9 · Crystal Structure of Putative Peptide Maturation Protein from Shigella flexneri · the same entry in another collection · chain A against A, TM-score 1.00

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