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 #6

0.546

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Surrounding area

Site 2 FPocket #2

0.485

Likely same site as P2Rank 4 7.8 Å 2 shared residues 25% 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

0.49

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Site 2 P2Rank #2

0.097

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Site 3 P2Rank #3

0.001

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Site 4 P2Rank #4

0.001

Likely same site as FPocket 2 7.8 Å 2 shared residues 25% of smaller site

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Residue sets

UniProt: Active site:198-198 Proton donor/acceptor

UniProt: Binding site:101-101

UniProt: Binding site:147-147

UniProt: Binding site:15-15

UniProt: Binding site:198-198

UniProt: Binding site:99-99

Binding pockets · FPocket

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

Site 1 FPocket #2

0.596

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Site 2 FPocket #3

0.26

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.482

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Site 2 P2Rank #2

0.05

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Site 3 P2Rank #3

0.012

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Site 4 P2Rank #4

0.003

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