KpATCC43816 Protein target profile

gram-negative pili assembly chaperone, C-terminal domain protein

Accession: VK055_4531

Gene: AIK83069.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A086ITU0

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Length 220

Pocket druggability (P2Rank · AlphaFold DB model) 0.065

Direct ligand evidence 0 3 total records

Functional annotation 0 EC 4 GO

Target summary

Promising target candidate with multiple supporting evidence streams.

Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.

Main supporting evidence

Risks to review

Evidence coverage

Core evidence streams are available for this target.

Terms and data sources used on this page

PDB: experimentally determined structures from the Protein Data Bank. These are the strongest structural evidence, but may cover only part of the protein.

AlphaFold DB model: a precomputed predicted structure downloaded from AlphaFold Database/UniProt, not an experiment performed here.

ColabFold model: a predicted structure generated for this workspace; interpret it with coverage and confidence.

pLDDT: confidence score for predicted structures. High values support local geometry; low values mean the region should not drive pocket interpretation.

FPocket / P2Rank: software tools that predict possible ligand-binding pockets on a 3D structure. They are useful screening signals, not experimental validation.

Druggability: a pocket-based estimate of whether a small molecule could bind productively. It does not mean a drug already exists.

PDB ligand: a compound observed in an experimental structure. Direct same-protein records are stronger than homolog-transferred records.

ChEMBL: a public database of measured compound bioactivity. Direct entries are stronger than entries transferred from similar proteins.

ZINC: a purchasable-compound database. Here it marks proposed candidates from chemical similarity, not measured binders.

LigQ / LigQ_2: an internal Target pipeline step that gathers PDB, ChEMBL, and ZINC ligand evidence for each protein.

Off-target: sequence similarity to proteins we prefer not to hit, such as human proteins or beneficial gut microbiome proteins.

DEG: Database of Essential Genes. A match suggests the protein resembles genes known to be essential in other organisms.

Roary / CoreCruncher: pan-genome tools used to decide whether a gene is core across analyzed strains or accessory/strain-specific.

EC / GO: functional annotations: EC describes enzyme reactions; GO describes biological process, molecular function, or cellular component.

KEGG pathway: a curated metabolic route label used here to group reactions imported from the metabolic model.

Chokepoint: a metabolic reaction that is the only producer or consumer of a metabolite in the imported model.

Prioritization evidence

Selectivity, essentiality, structural confidence, conservation, and predicted binding-site evidence.

Off-target risk

Human off-target: No hit
Gut microbiome similarity: 0.5% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 51.546 Higher values support similarity to known essential genes.
DEG E-value: 1.9e-31 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 93.27 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

P2Rank's binding-site probability is the primary druggability signal shown across the app; FPocket's druggability score is shown alongside it for comparison. Both estimate small-molecule pocket quality after applying the curated structure priority — neither is experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

Druggability (P2Rank) 0.065

Structure A0A086ITU0

Pocket Pocket 1

Druggability (FPocket) 0.705

Structure A0A086ITU0

Pocket Pocket 1

ColabFold model

P2Rank 0.048 · Pocket 1

FPocket 0.596 · Pocket 2

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 25 / 4744 genomes with a hit

Prevalence 0.5%

Metabolic context

Reactions catalyzed, pathway membership, and centrality in the genome-scale metabolic network.

This protein is not associated with the imported metabolic network for this genome.

Browse the genome's metabolic network

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MMKKIIAVAAFLLCTTAAQAGIVMGGTRVIYQEGKREAAISVTNADTHTPYLVQSWVENYAENDKARVPFIVTPPLFRLDPEQNNVLRINFIGASLPRDRESVFWLNVKSIAPTPQGEVNKLQVNIKSKFKIFYRPNDLAGDPAKAWQQLKFSQSGGRLTVINPTPYFVSFYAVEVGGQSIDDPGMVAPFGEKTWPVSGHGTVKWRAINDYGGVSDFAQQ

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Subcellular localization

Localization: Periplasmic

Gene Ontology (GO)

GO:0043711 A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of a pilus, a short filamentous structure on a bacterial cell, flagella-like in structure and generally present in many copies.
GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
GO:0071555 A process that results in the assembly, arrangement of constituent parts, or disassembly of the cell wall, the rigid or semi-rigid envelope lying outside the cell membrane of plant, fungal and most prokaryotic cells, maintaining their shape and protecting them from osmotic lysis.
GO:0061077 OBSOLETE. The process of inhibiting aggregation and assisting in the covalent and noncovalent assembly of single chain polypeptides or multisubunit complexes into the correct tertiary structure that is dependent on interaction with a chaperone.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

32 records

Show feature table

Start	End	DB	Term	Name
16	139	SUPERFAMILY	SSF49354	PapD-like
16	139	InterPro	IPR008962	PapD-like superfamily
1	20	Phobius	SIGNAL_PEPTIDE	Signal peptide region
141	217	SUPERFAMILY	SSF49584	Periplasmic chaperone C-domain
141	217	InterPro	IPR036316	Pili assembly chaperone, C-terminal domain superfamily
16	20	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
69	90	PRINTS	PR00969	Pili chaperone signature
69	90	InterPro	IPR001829	Pili assembly chaperone, bacterial
97	114	PRINTS	PR00969	Pili chaperone signature
97	114	InterPro	IPR001829	Pili assembly chaperone, bacterial
121	136	PRINTS	PR00969	Pili chaperone signature
121	136	InterPro	IPR001829	Pili assembly chaperone, bacterial
156	171	PRINTS	PR00969	Pili chaperone signature
156	171	InterPro	IPR001829	Pili assembly chaperone, bacterial
22	31	PRINTS	PR00969	Pili chaperone signature
22	31	InterPro	IPR001829	Pili assembly chaperone, bacterial
1	20	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
1	20	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM
5	27	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
21	139	Pfam	PF00345	Pili and flagellar-assembly chaperone, PapD N-terminal domain
21	139	InterPro	IPR016147	Pili assembly chaperone, N-terminal
1	4	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
162	215	Pfam	PF02753	Pili assembly chaperone PapD, C-terminal domain
162	215	InterPro	IPR016148	Pili assembly chaperone, C-terminal
22	137	FunFam	G3DSA:2.60.40.10:FF:000458	Molecular chaperone FimC
21	220	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
141	219	Gene3D	G3DSA:2.60.40.10	Immunoglobulins
141	219	InterPro	IPR013783	Immunoglobulin-like fold
5	216	PANTHER	PTHR30251	PILUS ASSEMBLY CHAPERONE
21	139	Gene3D	G3DSA:2.60.40.10	Immunoglobulins
21	139	InterPro	IPR013783	Immunoglobulin-like fold
5	15	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.

3D structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; AlphaFold DB and ColabFold models typically cover the full protein but remain computational predictions.

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Pocket score High Medium Low

How colors and pocket overlays are used

Uniform protein color marks the displayed model as a single molecular object.

Experimental PDB structures may be colored by chain to distinguish subunits or copies present in the file.

Pocket colors and alpha spheres are evidence overlays for predicted binding cavities; they are not alternative protein chains.

'Alpha spheres' is FPocket's own cavity-shape geometry, imported when available and aligned with the loaded structure.

'Pocket atoms'/'Predicted site atoms' show the pocket's residue atoms instead: P2Rank reports residues rather than alpha spheres, and FPocket falls back to this when alpha-sphere geometry is unavailable or doesn't align.

'No pocket geometry' means neither alpha spheres nor residue-position data could be found for that pocket; the layer just highlights the same residues as 'Nearby residues'.

Pocket details Inspect a specific pocket, or open the full viewer

Binding pockets · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.065

Likely same site as FPocket 1 3.9 Å 8 shared residues 89% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.016

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Surrounding area

Pocket 3 P2Rank #3

0.01

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Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #1

0.705

Likely same site as P2Rank 1 3.9 Å 8 shared residues 89% of smaller site

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Surrounding area

Pocket 2 FPocket #4

0.623

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Surrounding area

Pocket 3 FPocket #9

0.551

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Surrounding area

Binding pockets · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.048

Likely same site as FPocket 2 3.9 Å 8 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.011

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Surrounding area

Pocket 3 P2Rank #3

0.01

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Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #2

0.596

Likely same site as P2Rank 1 3.9 Å 8 shared residues 100% of smaller site

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Surrounding area

Pocket 2 FPocket #13

0.213

Likely same site as P2Rank 1 6.6 Å 3 shared residues 60% of smaller site

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Surrounding area

All structural evidence 0 experimental · 2 predicted

Structural evidence

0 + 2

Experimental PDB entries plus predicted AlphaFold DB or ColabFold models. Click Switch to display a different loaded structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold DB AF_A0A086ITU0	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_4531	ColabFold	—	—	full sequence	—	Loaded

Ligand evidence

Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.

3 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 3 records from similar proteins

Structural ligands 3 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 0 similarity-based ZINC candidates

Best available ligand signal

EC2 PDB via homolog 453.6 Da · LogP 5.94 · TPSA 59.3 Open detail RCSB PDB

EC5 PDB via homolog Detail RCSB PDB

XC2 PDB via homolog Detail RCSB PDB

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in Target, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
EC2 RCSB PDB	2XG5	P15319	453.6 Da LogP 5.94 TPSA 59.3	1 viol.	✓ Clean	`c1ccc(cc1)[C@@H]2[C@H](N3C(=O)C=C(C(=C3S2)C4CC4…`
EC5 RCSB PDB	2XG5	P15319	471.6 Da LogP 5.90 TPSA 79.5	1 viol.	✓ Clean	`c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C2SO)C3C…`
XC2 RCSB PDB	2XG4	P15319	476.6 Da LogP 4.03 TPSA 71.8	✓ Ro5	✓ Clean	`c1ccc2c(c1)cccc2CC3=C(C(=O)N4[C@@H](CSC4=C3C5CC…`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

No virtual-screening candidates for this protein.

PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.

Cross-references

External database identifiers for this protein, its structures, ligands, and metabolic reactions.

Sequence

UniProt A0A086ITU0