KpATCC43816 Protein target profile

FKBP-type peptidyl-prolyl cis-trans isomerase family protein

Accession: VK055_2441

Gene: AIK81038.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A483LPQ4

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Length 647

Pocket druggability (P2Rank · AlphaFold DB model) 0.015

Direct ligand evidence 0 37 total records

Functional annotation 1 EC 6 GO

Target summary

Target candidate with partial support; inspect missing evidence before prioritizing.

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

Main supporting evidence

No similar human protein detected The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 2 structural and 3 bioactivity records.

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: 0.0% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): N
DEG identity (%): 0.0 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT: 68.79 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) 0.015

Structure A0A483LPQ4

Pocket Pocket 1

Druggability (FPocket) 0.72

Structure A0A483LPQ4

Pocket Pocket 43

ColabFold model

P2Rank 0.013 · Pocket 1

FPocket 0.423 · Pocket 39

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 2 / 4744 genomes with a hit

Prevalence 0.0%

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.

MNRAATLTLNAPLLMLVAALALSTPFTAGAAPAFLDYAQQQTQQSQAQEKNDAASAKQTQESRQSADNKKIGTNTSQLQKRITSQQAAIAQKDKLIQQLKKQLAATPQSDTAGANEQAALNKRINELQVALSAATAEKEALIKKAGVVQNNNLQQSQAAARQQIQQLTTQIQQAEAENKRLSASFTTLNKDKHALMTQLAATEKEKQAVLEQVKALNADKQSLTIRLAAAEKAQQAALDQAKALNADKQPLATRLAAAEKEKQAVLEQVKALNADKQSLTIRLAAAEKAQQAALDQAKALNADKQPLATRLAAAEKEKQAVLEQVKALNADKQSLTIRLAAAEKTQQAALDQVKALNADKQSLSTRLAAADKAPHGPANDAAAPKNEPPEMAAIVAAYRLQADKDNAQLRMKEDEIELLRTQLSVQSKTRSGESAAAKLSASGEQQAYAIGASMGSEALNVLTTRRTQGVTVDAGLVLQGIEDAFRGQLRLGEQERNKALFDVSQQVFQNLNKIEQKNISAGKKYQQAFARKKDVVFKEGVYSRIDYPGKGKISGNDLVTVVIKEMLTDGTVINDMEAKDQALTQKLDAYPPVFREPLKRLQNHGSVTLVVPPEKAYGSKGLPPKIPPGATMVYSVRIVDSQPEPAK

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Subcellular localization

Localization: Periplasmic

Enzyme Commission (EC)

5.2.1.8

Gene Ontology (GO)

GO:0006457 The process of assisting in the covalent and noncovalent assembly of single chain polypeptides or multisubunit complexes into the correct tertiary structure.
GO:0003755 Catalysis of the reaction: peptidyl-proline (omega=180) = peptidyl-proline (omega=0).
GO:0000775 The region of a chromosome that includes the centromeric DNA and associated proteins. In monocentric chromosomes, this region corresponds to a single area of the chromosome, whereas in holocentric chromosomes, it is evenly distributed along the chromosome.
GO:0000922 Either of the ends of a spindle, where spindle microtubules are organized; usually contains a microtubule organizing center and accessory molecules, spindle microtubules and astral microtubules.
GO:0070840 Binding to a dynein complex, a protein complex that contains two or three dynein heavy chains and several light chains, and has microtubule motor activity.
GO:0008017 Binding to a microtubule, a filament composed of tubulin monomers.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

29 records

Show feature table

Start	End	DB	Term	Name
117	144	Coils	Coil	Coil
311	373	Coils	Coil	Coil
1	30	Phobius	SIGNAL_PEPTIDE	Signal peptide region
536	645	Gene3D	G3DSA:3.10.50.40	-
536	645	InterPro	IPR046357	Peptidyl-prolyl cis-trans isomerase domain superfamily
37	57	Coils	Coil	Coil
444	536	Pfam	PF01346	Domain amino terminal to FKBP-type peptidyl-prolyl isomerase
444	536	InterPro	IPR000774	Peptidyl-prolyl cis-trans isomerase, FKBP-type, N-terminal
1	30	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM
82	102	Coils	Coil	Coil
425	535	Gene3D	G3DSA:1.10.287.460	-
425	535	InterPro	IPR036944	Peptidyl-prolyl cis-trans isomerase, FKBP-type, N-terminal domain superfamily
255	303	Coils	Coil	Coil
150	247	Coils	Coil	Coil
13	35	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
4	22	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
365	388	MobiDBLite	mobidb-lite	consensus disorder prediction
1	21	SignalP_EUK	SignalP-noTM	SignalP-noTM
31	647	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
444	640	SUPERFAMILY	SSF54534	FKBP-like
23	30	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
402	422	Coils	Coil	Coil
1	30	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
553	638	Pfam	PF00254	FKBP-type peptidyl-prolyl cis-trans isomerase
553	638	InterPro	IPR001179	FKBP-type peptidyl-prolyl cis-trans isomerase domain
1	3	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
556	642	ProSiteProfiles	PS50059	FKBP-type peptidyl-prolyl cis-trans isomerase domain profile.
556	642	InterPro	IPR001179	FKBP-type peptidyl-prolyl cis-trans isomerase domain
42	78	MobiDBLite	mobidb-lite	consensus disorder prediction

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

0.015

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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 #43

0.72 Unusual size

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Surrounding area

Pocket 2 FPocket #5

0.465

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Surrounding area

Pocket 3 FPocket #34

0.41

Show in viewer

Surrounding area

Pocket 4 FPocket #26

0.292

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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_A0A483LPQ4	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_2441	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.

37 records

Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 same-protein records

Transferred evidence 5 records from similar proteins

Structural ligands 2 0 loaded crystals

Measured bioactivity 3 direct and transferred ChEMBL records

Proposed compounds 32 similarity-based ZINC candidates

Best available ligand signal

FK5 PDB via homolog 804.0 Da · LogP 4.64 · TPSA 178.4 Open detail RCSB PDB

RAP PDB via homolog Detail RCSB PDB

CHEMBL4062637 ChEMBL via homolog · pchembl 6.22 (~602.6 nM) Detail ChEMBL

6UO ChEMBL via homolog Detail ChEMBL

CHEMBL3924013 ChEMBL via homolog Detail ChEMBL

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
FK5 RCSB PDB	1Q6I	P45523	804.0 Da LogP 4.64 TPSA 178.4	2 viol.	✓ Clean	`C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C…`
RAP RCSB PDB	2VCD	Q5ZXE0	914.2 Da LogP 6.18 TPSA 195.4	3 viol.	✓ Clean	`C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C\C=C\[C@H](C[C@H…`

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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL4062637 ChEMBL	Q70YI1	6.22 ~602.6 nM	482.4 Da LogP 4.37 TPSA 70.6	✓ Ro5	✓ Clean	`CC[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2S(=…`
6UO ChEMBL	Q70YI1	—	432.5 Da LogP 2.17 TPSA 102.9	✓ Ro5	✓ Clean	`c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCOC(=O)c…`
CHEMBL3924013 ChEMBL	Q70YI1	—	402.5 Da LogP 2.94 TPSA 76.6	✓ Ro5	✓ Clean	`O=C(OCCCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1`

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

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC95461501 ZINC	0.712	338.5 Da LogP 3.61 TPSA 42.4	✓ Ro5	✓ Clean	`O=C(OCCCc1cccnc1)[C@H]1CCCCN1Cc1ccccc1`
ZINC95461502 ZINC	0.712	338.5 Da LogP 3.61 TPSA 42.4	✓ Ro5	✓ Clean	`O=C(OCCCc1cccnc1)[C@@H]1CCCCN1Cc1ccccc1`
ZINC49960520 ZINC	0.582	396.5 Da LogP 3.76 TPSA 59.5	✓ Ro5	✓ Clean	`O=C(OCCCc1cccnc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C…`
ZINC49960522 ZINC	0.582	396.5 Da LogP 3.76 TPSA 59.5	✓ Ro5	✓ Clean	`O=C(OCCCc1cccnc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3…`
ZINC78876901 ZINC	0.571	324.4 Da LogP 2.82 TPSA 59.5	✓ Ro5	✓ Clean	`O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccnc1`
ZINC78876906 ZINC	0.571	324.4 Da LogP 2.82 TPSA 59.5	✓ Ro5	✓ Clean	`O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1cccnc1`
ZINC15566298 ZINC	0.565	402.5 Da LogP 3.43 TPSA 76.6	✓ Ro5	✓ Clean	`C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCCCc2cccnc2)…`
ZINC15566300 ZINC	0.565	402.5 Da LogP 3.43 TPSA 76.6	✓ Ro5	✓ Clean	`C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCCCc2cccnc2)c…`
ZINC3827029 ZINC	0.559	360.5 Da LogP 2.55 TPSA 76.6	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1`
ZINC71890097 ZINC	0.547	338.4 Da LogP 2.75 TPSA 59.5	✓ Ro5	✓ Clean	`O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)CCc1cccnc1`
ZINC71890098 ZINC	0.547	338.4 Da LogP 2.75 TPSA 59.5	✓ Ro5	✓ Clean	`O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)CCc1cccnc1`
ZINC97108697 ZINC	0.540	297.4 Da LogP 1.52 TPSA 73.3	✓ Ro5	✓ Clean	`O=C(OCCCc1cccnc1)[C@@H]1CCCCS1(=O)=O`
ZINC97108698 ZINC	0.540	297.4 Da LogP 1.52 TPSA 73.3	✓ Ro5	✓ Clean	`O=C(OCCCc1cccnc1)[C@H]1CCCCS1(=O)=O`
ZINC75127675 ZINC	0.537	306.4 Da LogP 2.04 TPSA 68.7	✓ Ro5	✓ Clean	`COC(=O)N1CCC[C@H](C(=O)OCCCc2cccnc2)C1`
ZINC75127677 ZINC	0.537	306.4 Da LogP 2.04 TPSA 68.7	✓ Ro5	✓ Clean	`COC(=O)N1CCC[C@@H](C(=O)OCCCc2cccnc2)C1`
ZINC2325870922 ZINC	0.535	415.5 Da LogP 2.70 TPSA 72.9	✓ Ro5	✓ Clean	`O=C(OCCc1ccc2c(c1)CCO2)[C@@H]1CCCN1S(=O)(=O)Cc1…`
ZINC2325870923 ZINC	0.535	415.5 Da LogP 2.70 TPSA 72.9	✓ Ro5	✓ Clean	`O=C(OCCc1ccc2c(c1)CCO2)[C@H]1CCCN1S(=O)(=O)Cc1c…`
ZINC25767611 ZINC	0.526	268.3 Da LogP 0.47 TPSA 80.5	✓ Ro5	✓ Clean	`NC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1`
ZINC25767614 ZINC	0.526	268.3 Da LogP 0.47 TPSA 80.5	✓ Ro5	✓ Clean	`NC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1`
ZINC12787881 ZINC	0.525	302.4 Da LogP 2.75 TPSA 50.3	✓ Ro5	✓ Clean	`O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1c1cccnc1`
ZINC12787885 ZINC	0.525	302.4 Da LogP 2.75 TPSA 50.3	✓ Ro5	✓ Clean	`O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1cccnc1`
ZINC22144279 ZINC	0.518	269.3 Da LogP 1.07 TPSA 74.7	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1`
ZINC22144281 ZINC	0.518	269.3 Da LogP 1.07 TPSA 74.7	✓ Ro5	✓ Clean	`O=C(O)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1`
ZINC32181093 ZINC	0.517	241.3 Da LogP 2.87 TPSA 39.2	✓ Ro5	✓ Clean	`O=C(OCCCc1ccccc1)c1cccnc1`
ZINC78948200 ZINC	0.508	338.4 Da LogP 2.72 TPSA 59.5	✓ Ro5	✓ Clean	`O=C(OCCc1cccnc1)C1CCN(C(=O)c2ccccc2)CC1`
ZINC66518303 ZINC	0.507	393.3 Da LogP 3.92 TPSA 59.5	✓ Ro5	✓ Clean	`O=C(OCCCc1cccnc1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O`
ZINC66518304 ZINC	0.507	393.3 Da LogP 3.92 TPSA 59.5	✓ Ro5	✓ Clean	`O=C(OCCCc1cccnc1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O`
ZINC22591090 ZINC	0.500	248.3 Da LogP 2.00 TPSA 42.4	✓ Ro5	✓ Clean	`CCOC(=O)[C@@H]1CCCCN1Cc1cccnc1`
ZINC22591096 ZINC	0.500	248.3 Da LogP 2.00 TPSA 42.4	✓ Ro5	✓ Clean	`CCOC(=O)[C@H]1CCCCN1Cc1cccnc1`
ZINC391816 ZINC	0.500	213.2 Da LogP 2.44 TPSA 39.2	✓ Ro5	✓ Clean	`O=C(OCc1ccccc1)c1cccnc1`
ZINC40510480 ZINC	0.500	311.4 Da LogP 0.55 TPSA 79.4	✓ Ro5	✓ Clean	`CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1cccnc1`
ZINC40510481 ZINC	0.500	311.4 Da LogP 0.55 TPSA 79.4	✓ Ro5	✓ Clean	`CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1cccnc1`

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 A0A483LPQ4

Chemistry

ChEMBL CHEMBL4062637 ChEMBL 6UO ChEMBL CHEMBL3924013