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 #6

0.601

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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

0.198

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Surrounding area

Site 2 P2Rank #2

0.152

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Site 3 P2Rank #3

0.019

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Surrounding area

Residue sets

UniProt: Binding site:112-112

UniProt: Binding site:116-116

UniProt: Binding site:135-135

UniProt: Binding site:162-162

UniProt: Binding site:164-164

UniProt: Binding site:52-52

UniProt: Binding site:79-79

UniProt: Binding site:96-96

Binding pockets · FPocket

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

Site 1 FPocket #10

0.288

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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

0.908

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Site 2 P2Rank #2

0.808

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Site 3 P2Rank #3

0.064

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Site 4 P2Rank #4

0.042

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Site 5 P2Rank #5

0.031

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #1

0.836

Likely same site as P2Rank 1 5.3 Å 17 shared residues 74% of smaller site

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Site 2 FPocket #3

0.37

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Site 3 FPocket #2

0.366

Likely same site as P2Rank 2 0.8 Å 18 shared residues 100% 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

0.891

Likely same site as FPocket 1 5.3 Å 17 shared residues 74% of smaller site

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Site 2 P2Rank #2

0.728

Likely same site as FPocket 2 0.8 Å 18 shared residues 100% of smaller site

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Site 3 P2Rank #3

0.009

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Binding pockets · FPocket

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

Site 1 FPocket #2

0.92

Likely same site as P2Rank 2 6.0 Å 16 shared residues 73% of smaller site

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Site 2 FPocket #1

0.918

Likely same site as P2Rank 2 3.6 Å 20 shared residues 95% of smaller site

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Site 3 FPocket #5

0.431

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.865

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Site 2 P2Rank #2

0.863

Likely same site as FPocket 1 3.6 Å 20 shared residues 95% of smaller site

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Binding pockets · FPocket

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

Site 1 FPocket #1

0.75

Likely same site as P2Rank 1 1.3 Å 19 shared residues 100% 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

0.434

Likely same site as FPocket 1 1.3 Å 19 shared residues 100% of smaller site

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Binding pockets · FPocket

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

Site 1 FPocket #1

0.973

Likely same site as P2Rank 1 2.1 Å 29 shared residues 94% of smaller site

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Site 2 FPocket #2

0.632

Likely same site as P2Rank 2 1.0 Å 18 shared residues 86% of smaller site

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Site 3 FPocket #5

0.468

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.896

Likely same site as FPocket 1 2.1 Å 29 shared residues 94% of smaller site

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Site 2 P2Rank #2

0.831

Likely same site as FPocket 2 1.0 Å 18 shared residues 86% of smaller site

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Site 3 P2Rank #3

0.05

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