Target Pathogen

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Pockets High Medium Low

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

Site 1 FPocket #1

0.336

Likely same site as P2Rank 1 3.1 Å 14 shared residues 100% of smaller site

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Surrounding area

Site 2 FPocket #3

0.317

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Surrounding area

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

Site 1 P2Rank #1

0.096

Likely same site as FPocket 1 3.1 Å 14 shared residues 100% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.017

Likely same site as FPocket 1 7.4 Å 7 shared residues 100% of smaller site

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Surrounding area

Residue sets

UniProt: Active site:73-73 Proton donor/acceptor

UniProt: Binding site:155-155

UniProt: Binding site:28-29

UniProt: Binding site:43-44

UniProt: Binding site:71-72

UniProt: Binding site:73-73

UniProt: Binding site:92-92

UniProt: Binding site:94-94

UniProt: Site:113-113 Plays a key role in the stabilization of the transition state and positioning the aldehyde component

UniProt: Site:131-131 Plays a key role in the stabilization of the transition state and positioning the aldehyde component

UniProt: Site:209-209 Plays a key role in the stabilization of the transition state and positioning the aldehyde component

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

Site 1 FPocket #3

0.703

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Surrounding area

Site 2 FPocket #9

0.266

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Surrounding area