Bacterial genome

KpATCC43816

Curated analysis Druggability scores from a reviewed external import.

Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome

Source: Public Organism: Klebsiella pneumoniae subsp. pneumoniae Sequence length: 5,374,834 bp Strain: ATCC 43816 KPPR1 Completion: Complete genome
Proteins Metabolism
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Proteins 5081
With 3D structure 5080
Annotated 4002
With pocket score 5056
Direct ligand hits 72

Top-ranked candidates

Composite score (0-100%) weighing druggability, ligand evidence, and five other independent signals.

How is this calculated?

FPocket druggability, P2Rank pocket support, ligand evidence type, selectivity/off-target screens, essentiality, conservation, structure, and metabolic context each contribute independently. Ligand counts are context, not a linear score multiplier - direct PDB ligand, measured ChEMBL activity, homolog-transferred evidence, and ZINC proposals are capped separately. Use the ligand-support ranking alongside this one when the raw count itself matters.

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  1. #1 VK055_2067
    68% Strong

    UDP-2,3-diacylglucosamine hydrolase

    High FPocket druggability 0.99P2Rank pocket supportExperimental PDB ligandZINC proposed compounds+2

  2. #2 VK055_0860
    67% Strong

    4-hydroxythreonine-4-phosphate dehydrogenase

    Moderate FPocket druggability 0.68P2Rank pocket supportExperimental PDB ligandLigand evidence via homolog+2

  3. #3 VK055_0891
    65% Strong

    beta-lactamase SHV-24

    High FPocket druggability 1P2Rank pocket supportExperimental PDB ligandMeasured ChEMBL activity+2

  4. #4 VK055_0678
    65% Strong

    coenzyme PQQ biosynthesis protein C

    High FPocket druggability 0.8P2Rank pocket supportExperimental PDB ligandLigand evidence via homolog+2

  5. #5 VK055_1755
    62% Moderate

    6-phosphogluconolactonase

    High FPocket druggability 0.9P2Rank pocket supportExperimental PDB ligandZINC proposed compounds+2

Strong is at least 65% of the maximum weighted evidence; Moderate is 40-65%; Limited is below 40%. This ranking is only a first-pass triage. Create your own score →

No ligand evidence yet

Worth a fresh look

Same composite score, restricted to proteins with zero ligand records - promising candidates nobody has drugged yet, instead of the ones already best-studied.

  1. #1 VK055_3185
    50% Moderate

    TDP-D-fucosamine acetyltransferase

    High FPocket druggability 0.81P2Rank pocket supportNo similar human proteinEssential-gene similarity+2

  2. #2 VK055_2824
    47% Moderate

    2-dehydro-3-deoxyphosphogluconate aldolase

    High FPocket druggability 0.71P2Rank pocket supportNo similar human proteinCore across strains+2

  3. #3 VK055_3182
    43% Moderate

    4-alpha-L-fucosyltransferase

    High FPocket druggability 0.95P2Rank pocket supportNo similar human proteinEssential-gene similarity+2

  4. #4 VK055_5062
    43% Moderate

    putative lipoate-protein ligase A

    High FPocket druggability 0.93P2Rank pocket supportNo similar human proteinCore across strains+2

  5. #5 VK055_1236
    43% Moderate

    arginine N-succinyltransferase

    P2Rank pocket supportNo similar human proteinEssential-gene similarityCore across strains+2

Ranked by the same non-chemical evidence as the main ranking: druggability, selectivity, essentiality, conservation, structure, and metabolic role. Once real ligand evidence appears for one of these, it will move to the main ranking instead.

Evidence available

Structural, functional, ligand, and metabolic evidence available for proteins in this genome.

3D structures 5080 proteins
  • Loaded experimental180
  • PDB xref proteins83
  • PDB xref entries201
  • AlphaFold DB models4645
  • ColabFold models5080
Functional annotation 4002 annotated proteins
  • EC1140
  • GO4002
Ligand evidence for this genome 72 direct hits 150298 total records · 2722 proteins
  • PDB co-crystal71
  • PDB via homologs17937
  • ChEMBL bioactive1
  • ChEMBL via homologs19540
  • ZINC proposed112749
Metabolic model 966 mapped proteins 2078 reactions · 101 pathways
  • Chokepoint genes440
  • Chokepoint reactions368
  • Chokepoint + pocket308
Open metabolism
CDS 5081 RNA features 110 Total features 5,191

Note: PDB and ChEMBL records on this protein are the strongest ligand evidence. Similar-protein records are inferred from related proteins and should be interpreted as transferred evidence. ChEMBL similar-protein records are capped at the top 100 per protein and ZINC at the top 50 candidates.

Downloads

Download source genome and annotation files.

Imported genome details

Properties imported from the source record.

Show imported genome details
Sequence length [bp] 5374834
Gene features 5191
Protein-coding features 5081
tRNA features 85
rRNA features 25
3D structures 5080
GC —