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 #5

0.615

Likely same site as P2Rank 5 7.4 Å 5 shared residues 56% 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

0.338

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Site 2 P2Rank #2

0.151

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Site 3 P2Rank #3

0.039

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Site 4 P2Rank #4

0.034

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Site 5 P2Rank #5

0.025

Likely same site as FPocket 5 7.4 Å 5 shared residues 56% of smaller site

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Residue sets

UniProt: Active site:104-104 Proton donor

UniProt: Binding site:102-102

UniProt: Binding site:129-129

UniProt: Binding site:132-132

UniProt: Binding site:89-91

Binding pockets · FPocket

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

Site 1 FPocket #1

0.953

Likely same site as P2Rank 1 1.3 Å 69 shared residues 97% of smaller site

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Site 2 FPocket #2

0.697

Likely same site as P2Rank 2 2.6 Å 17 shared residues 85% 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

0.995

Likely same site as FPocket 1 1.3 Å 69 shared residues 97% of smaller site

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Site 2 P2Rank #2

0.889

Likely same site as FPocket 2 2.6 Å 17 shared residues 85% of smaller site

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Site 3 P2Rank #5

0.307

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Site 4 P2Rank #6

0.23

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Site 5 P2Rank #8

0.037

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Binding pockets · FPocket

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

Site 1 FPocket #3

0.587

Likely same site as P2Rank 3 5.2 Å 5 shared residues 56% 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

0.479

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Site 2 P2Rank #2

0.086

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Site 3 P2Rank #3

0.066

Likely same site as FPocket 3 5.2 Å 5 shared residues 56% of smaller site

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Site 4 P2Rank #4

0.037

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Site 5 P2Rank #5

0.006

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