Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: VK055_2289
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: AIK80893.1
Status: annotated
Amino acids: 190
Structure source: ColabFold

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.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 73.514
DEG E-value: 4.01e-100
Localization: Periplasmic
ColabFold pLDDT: 92.98

Selected Druggability evidence

ColabFold / curated model

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.691

Structure CB_VK055_2289

Pocket Pocket 14

P2Rank 0.178

Structure CB_VK055_2289

Pocket Pocket 1

ColabFold model

FPocket 0.691 · Pocket 14

P2Rank 0.178 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 34 / 4744 genomes with a hit

Normalized 0.007

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4

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 Features

Domain/signature hits from InterPro and related databases.

24 records

Show feature table

Start	End	DB	Term	Name
1	103	FunFam	G3DSA:2.60.40.10:FF:000458	Molecular chaperone FimC
3	105	Pfam	PF00345	Pili and flagellar-assembly chaperone, PapD N-terminal domain
3	105	InterPro	IPR016147	Pili assembly chaperone, N-terminal
128	182	Pfam	PF02753	Pili assembly chaperone PapD, C-terminal domain
128	182	InterPro	IPR016148	Pili assembly chaperone, C-terminal
2	184	PANTHER	PTHR30251	PILUS ASSEMBLY CHAPERONE
100	185	SUPERFAMILY	SSF49584	Periplasmic chaperone C-domain
100	185	InterPro	IPR036316	Pili assembly chaperone, C-terminal domain superfamily
58	75	ProSitePatterns	PS00635	Gram-negative pili assembly chaperone signature.
58	75	InterPro	IPR018046	Pili assembly chaperone, conserved site
1	103	Gene3D	G3DSA:2.60.40.10	Immunoglobulins
1	103	InterPro	IPR013783	Immunoglobulin-like fold
107	188	Gene3D	G3DSA:2.60.40.10	Immunoglobulins
107	188	InterPro	IPR013783	Immunoglobulin-like fold
3	105	SUPERFAMILY	SSF49354	PapD-like
3	105	InterPro	IPR008962	PapD-like superfamily
87	102	PRINTS	PR00969	Pili chaperone signature
87	102	InterPro	IPR001829	Pili assembly chaperone, bacterial
59	76	PRINTS	PR00969	Pili chaperone signature
59	76	InterPro	IPR001829	Pili assembly chaperone, bacterial
30	51	PRINTS	PR00969	Pili chaperone signature
30	51	InterPro	IPR001829	Pili assembly chaperone, bacterial
122	137	PRINTS	PR00969	Pili chaperone signature
122	137	InterPro	IPR001829	Pili assembly chaperone, bacterial

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

Loading 3D structure...

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Structural evidence

0 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
ColabFold VK055_2289	ColabFold	—	—	full sequence	—	Viewing

Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET	Sticks	Spheres	Surfaces	Druggability	Labels	Zoom	Positions
14				0.691
9				0.035
15				0.002

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Sticks	Spheres	Surfaces	Score	Probability	Labels	Zoom	Positions
1				4.86	0.178
2				2.06	0.038

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

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, 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	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	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	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.