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 #4

0.443

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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

0.969

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Surrounding area

Site 2 P2Rank #2

0.128

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Site 3 P2Rank #3

0.12

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Site 4 P2Rank #4

0.095

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Residue sets

UniProt: Active site:170-170 Proton donor

UniProt: Active site:263-263 Proton acceptor

UniProt: Binding site:147-147

UniProt: Binding site:169-169

UniProt: Binding site:200-200

UniProt: Binding site:283-283

UniProt: Binding site:4-70

UniProt: Binding site:93-93

UniProt: Site:109-109 Increases basicity of active site Tyr

Binding pockets · FPocket

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

Site 1 FPocket #18

0.502

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Surrounding area

Site 2 FPocket #2

0.283

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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

0.926

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Surrounding area

Site 2 P2Rank #2

0.718

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Site 3 P2Rank #3

0.092

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Site 4 P2Rank #4

0.066

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Site 5 P2Rank #5

0.049

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Binding pockets · FPocket

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

Site 1 FPocket #1

0.681

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Site 2 FPocket #17

0.269

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Site 3 FPocket #21

0.235

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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

0.926

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Surrounding area

Site 2 P2Rank #2

0.046

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Site 3 P2Rank #3

0.042

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Site 4 P2Rank #4

0.03

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Site 5 P2Rank #5

0.009

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Binding pockets · FPocket

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

Site 1 FPocket #1

0.542

Likely same site as P2Rank 2 3.7 Å 26 shared residues 90% of smaller site

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Surrounding area

Site 2 FPocket #49

0.201

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.925

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Site 2 P2Rank #2

0.637

Likely same site as FPocket 1 3.7 Å 26 shared residues 90% of smaller site

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Site 3 P2Rank #3

0.086

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Site 4 P2Rank #4

0.068

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Site 5 P2Rank #5

0.044

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Surrounding area