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 #2

0.994

Likely same site as P2Rank 1 1.2 Å 31 shared residues 100% of smaller site

Unusual size

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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

0.99

Likely same site as FPocket 2 1.2 Å 31 shared residues 100% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.875

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Site 3 P2Rank #3

0.159

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Surrounding area

Site 4 P2Rank #4

0.137

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Surrounding area

Site 5 P2Rank #5

0.086

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Surrounding area

Residue sets

UniProt: Active site:220-220 Tele-hemiaminal-histidine intermediate

UniProt: Binding site:109-109

UniProt: Binding site:114-114

UniProt: Binding site:58-61

Binding pockets · FPocket

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

Site 1 FPocket #5

0.982

Likely same site as P2Rank 1 0.7 Å 32 shared residues 100% of smaller site

Unusual size

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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

0.988

Likely same site as FPocket 5 0.7 Å 32 shared residues 100% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.87

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Site 3 P2Rank #3

0.145

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Site 4 P2Rank #4

0.145

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Site 5 P2Rank #5

0.111

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Surrounding area

Residue sets

UniProt: Active site:220-220 Tele-hemiaminal-histidine intermediate

UniProt: Binding site:109-109

UniProt: Binding site:114-114

UniProt: Binding site:58-61