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

0.806

Likely same site as P2Rank 3 5.0 Å 9 shared residues 82% of smaller site

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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

0.124

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Surrounding area

Site 2 P2Rank #2

0.043

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Site 3 P2Rank #3

0.035

Likely same site as FPocket 5 5.0 Å 9 shared residues 82% of smaller site

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Site 4 P2Rank #4

0.01

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Site 5 P2Rank #5

0.006

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Residue sets

UniProt: Active site:188-188 Proton donor/acceptor

UniProt: Active site:318-318

UniProt: Binding site:129-132 in site B

UniProt: Binding site:139-141

UniProt: Binding site:187-187

UniProt: Binding site:319-319

UniProt: Binding site:324-326

UniProt: Binding site:98-100

UniProt: Site:331-331 Important for catalytic activity

Binding pockets · FPocket

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

Site 1 FPocket #3

0.615

Likely same site as P2Rank 3 6.4 Å 6 shared residues 67% of smaller site

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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

0.039

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Surrounding area

Site 2 P2Rank #2

0.021

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Site 3 P2Rank #3

0.018

Likely same site as FPocket 3 6.4 Å 6 shared residues 67% of smaller site

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Site 4 P2Rank #4

0.004

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Surrounding area