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 #10

0.843

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Surrounding area

Site 2 FPocket #17

0.394

Likely same site as P2Rank 1 5.8 Å 10 shared residues 77% 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

0.808

Likely same site as FPocket 17 5.8 Å 10 shared residues 77% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.215

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Site 3 P2Rank #3

0.011

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Site 4 P2Rank #4

0.003

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Residue sets

UniProt: Active site:343-343 Proton acceptor

UniProt: Active site:373-373 Proton acceptor

UniProt: Active site:91-91 Acyl-thioester intermediate

Binding pockets · FPocket

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

Site 1 FPocket #2

0.932

Likely same site as P2Rank 1 3.6 Å 19 shared residues 100% of smaller site

Unusual size

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.822

Likely same site as FPocket 2 3.6 Å 19 shared residues 100% of smaller site

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Site 2 P2Rank #2

0.109

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Site 3 P2Rank #3

0.014

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