Target Pathogen

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Pockets High Medium Low

Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #1

0.945

Likely same site as P2Rank 1 5.1 Å 10 shared residues 56% of smaller site

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Site 2 FPocket #5

0.757

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Site 3 FPocket #7

0.35

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.403

Likely same site as FPocket 1 5.1 Å 10 shared residues 56% of smaller site

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Site 2 P2Rank #2

0.362

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Site 3 P2Rank #3

0.035

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Site 4 P2Rank #4

0.012

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Residue sets

UniProt: Site:174-174 Selectivity filter

UniProt: Site:183-183 Selectivity filter

UniProt: Site:189-189 Selectivity filter

UniProt: Site:20-20 Involved in tetramerization or stability of the tetramer

UniProt: Site:43-43 Selectivity filter

Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #2

0.566

Likely same site as P2Rank 3 3.3 Å 4 shared residues 100% of smaller site

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Surrounding area

Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.318

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Site 2 P2Rank #2

0.318

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Site 3 P2Rank #3

0.002

Likely same site as FPocket 2 3.3 Å 4 shared residues 100% of smaller site

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