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MolNFT v1 · #120677 · protein

Apo structure of immunity protein tplei of T6SS from pseudomonas aeruginosa

5H7Z · Uncharacterized protein: “Apo structure of immunity protein tplei of T6SS from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.53). MolNFT v1 #120677 on GenesisL1: 3D structure, binding…

PDB
5H7Z
Type
protein
Length
598 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
Q9I3K3
Ligands
SO4
Pockets
8 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein29620% helix, 43% strandQ9I3K3
BUncharacterized proteinprotein30219% helix, 42% strandQ9I3K3

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 12 copies · chains A, B

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
12230.530.7737SO4
22190.520.7728empty
3970.500.8215empty
4680.430.8115SO4
5660.350.7718empty

Interfaces

1 interface between chains.

  • A–B · 1292 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 5H7Z · Apo structure of immunity protein TplEi of T6SS from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00

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