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

0.629

Likely same site as P2Rank 1 0.4 Å 22 shared residues 96% of smaller site

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Site 2 FPocket #22

0.491

Likely same site as P2Rank 5 2.0 Å 9 shared residues 90% of smaller site

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.868

Likely same site as FPocket 1 0.4 Å 22 shared residues 96% of smaller site

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Site 2 P2Rank #2

0.351

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Site 3 P2Rank #3

0.157

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Site 4 P2Rank #4

0.08

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Site 5 P2Rank #5

0.023

Likely same site as FPocket 22 2.0 Å 9 shared residues 90% of smaller site

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Residue sets

UniProt: Active site:317-317 Proton donor/acceptor

UniProt: Active site:501-501 Proton donor/acceptor

UniProt: Binding site:157-157

UniProt: Binding site:164-165

UniProt: Binding site:201-201

UniProt: Binding site:210-212

UniProt: Binding site:282-284

UniProt: Binding site:315-315

UniProt: Binding site:516-516

Binding pockets · FPocket

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

Site 1 FPocket #4

0.465

Likely same site as P2Rank 5 2.5 Å 8 shared residues 89% of smaller site

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Site 2 FPocket #3

0.444

Likely same site as P2Rank 3 2.8 Å 15 shared residues 88% of smaller site

Unusual size

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.85

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Site 2 P2Rank #2

0.49

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Site 3 P2Rank #3

0.31

Likely same site as FPocket 3 2.8 Å 15 shared residues 88% of smaller site

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Site 4 P2Rank #4

0.092

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Site 5 P2Rank #5

0.081

Likely same site as FPocket 4 2.5 Å 8 shared residues 89% of smaller site

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