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

0.946

Likely same site as P2Rank 1 6.1 Å 7 shared residues 64% of smaller site

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Surrounding area

Site 2 FPocket #5

0.389

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.16

Likely same site as FPocket 1 6.1 Å 7 shared residues 64% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.123

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Site 3 P2Rank #3

0.068

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Site 4 P2Rank #4

0.06

Likely same site as FPocket 1 6.3 Å 8 shared residues 89% of smaller site

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Site 5 P2Rank #5

0.057

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Residue sets

UniProt: Active site:82-82 Proton donor

UniProt: Binding site:104-104

UniProt: Binding site:134-134

UniProt: Binding site:178-178

UniProt: Binding site:179-179

UniProt: Binding site:206-206

UniProt: Binding site:207-209

UniProt: Binding site:228-231

UniProt: Binding site:83-83

Binding pockets · FPocket

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

Site 1 FPocket #14

0.578

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Site 2 FPocket #1

0.463

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Site 3 FPocket #18

0.306

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Site 4 FPocket #19

0.234

Likely same site as P2Rank 3 2.3 Å 7 shared residues 100% 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

0.092

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Site 2 P2Rank #2

0.065

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Site 3 P2Rank #3

0.063

Likely same site as FPocket 19 2.3 Å 7 shared residues 100% of smaller site

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Site 4 P2Rank #4

0.007

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Residue sets

UniProt: Active site:82-82 Proton donor

UniProt: Binding site:104-104

UniProt: Binding site:134-134

UniProt: Binding site:178-178

UniProt: Binding site:179-179

UniProt: Binding site:206-206

UniProt: Binding site:207-209

UniProt: Binding site:228-231

UniProt: Binding site:83-83