Protein profile

VK055_5014

capsule assembly Wzi family protein

Genome: KpATCC43816

Gene: AIK83540.1 wzi Structure source: AlphaFold + ColabFold UniProt A0A0H3GSK2

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Amino acids 477

Annotations 0

Features 12

PDB binders 3

Druggability 0.955

Overview

Basic information about this protein and its source genome.

Accession: VK055_5014
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: AIK83540.1 wzi
Status: annotated
Amino acids: 477
Structure source: AlphaFold + ColabFold

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 (%): 47.679
DEG E-value: 2.91e-150
Localization: OuterMembrane
ColabFold pLDDT: 93.57

Selected Druggability evidence

AlphaFold / UniProt 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 0.955

Structure A0A0H3GSK2

Pocket Pocket 21

P2Rank 0.968

Structure A0A0H3GSK2

Pocket Pocket 1

ColabFold model

FPocket 0.948 · Pocket 21

P2Rank 0.964 · Pocket 1

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 14 / 4744 genomes with a hit

Normalized 0.003

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

No GO or EC annotations are currently loaded for this protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

12 records

Show feature table

Start	End	DB	Term	Name
1	23	Phobius	SIGNAL_PEPTIDE	Signal peptide region
1	6	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
89	466	Pfam	PF14052	Capsule assembly protein Wzi
89	466	InterPro	IPR026950	Capsule assembly protein Wzi
24	477	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	23	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
24	477	Gene3D	G3DSA:2.40.160.130	Capsule assembly protein Wzi
24	477	InterPro	IPR038636	Capsule assembly protein Wzi superfamily
1	21	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM
7	18	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
19	23	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
1	23	SignalP_EUK	SignalP-noTM	SignalP-noTM

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 + 2

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold AF_A0A0H3GSK2	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_5014	ColabFold	—	—	full sequence	—	Loaded

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
21				0.955

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	Score	Probability
1	21.7	0.873
2	2.95	0.095
3	2.28	0.057
4	2.07	0.046
5	1.7	0.03

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
21				0.948
2				0.466
10				0.319

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	Score	Probability
1	21.36	0.869
2	2.7	0.081
3	2.08	0.047
4	1.73	0.031
5	1.61	0.025

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.

49 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
D12	2YNK	Q8GNN6	170.3 Da LogP 4.93 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCC`
HEX	2YNK	Q8GNN6	86.2 Da LogP 2.59 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCC`
OCT	2YNK	Q8GNN6	114.2 Da LogP 3.37 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCC`

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).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC1545440	0.615	213.4 Da LogP 4.65 TPSA 26.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCN`
ZINC1644076	0.615	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCO`
ZINC1680803	0.615	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCO`
ZINC195766643	0.615	231.9 Da LogP 2.93 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCC[Sn+3]`
ZINC59144932	0.615	202.4 Da LogP 4.84 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCS`
ZINC100027350	0.571	227.4 Da LogP 4.91 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCCNCCCCCCC`
ZINC1627284	0.571	214.4 Da LogP 4.94 TPSA 9.2	✓ Ro5	✓ Clean	`CCCCCCCOCCCCCCC`
ZINC1699899	0.571	202.4 Da LogP 4.88 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCSCCCCCC`
ZINC1724011	0.571	213.4 Da LogP 4.52 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCNCCCCCCC`
ZINC2564179	0.571	214.4 Da LogP 4.94 TPSA 9.2	✓ Ro5	✓ Clean	`CCCCCCCCOCCCCCC`
ZINC100050955	0.533	327.6 Da LogP 4.48 TPSA 36.1	✓ Ro5	✓ Clean	`CCCCCCCCNCCNCCNCCCCCCCC`
ZINC100077022	0.533	227.4 Da LogP 4.86 TPSA 3.2	✓ Ro5	✓ Clean	`CCCCCCCN(C)CCCCCCC`
ZINC100924963	0.533	284.5 Da LogP 4.89 TPSA 24.1	✓ Ro5	✓ Clean	`CCCCCCCCNCCNCCCCCCCC`
ZINC106401282	0.533	227.4 Da LogP 4.91 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCNC`
ZINC1673414	0.533	228.4 Da LogP 4.61 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[N+](C)(C)C`
ZINC1687260	0.533	213.4 Da LogP 4.47 TPSA 3.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCN(C)C`
ZINC1700269	0.533	200.4 Da LogP 3.83 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCC[N+](C)(C)C`
ZINC2555244	0.533	227.4 Da LogP 4.86 TPSA 3.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCN(C)C`
ZINC35052519	0.533	228.4 Da LogP 3.33 TPSA 24.1	✓ Ro5	✓ Clean	`CCCCCCNCCNCCCCCC`
ZINC59359855	0.533	231.5 Da LogP 4.79 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[S+](C)C`
ZINC100015910	0.500	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCC[C@@H](O)CCCCCC`
ZINC114881475	0.500	206.4 Da LogP 4.31 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCC(S)S`
ZINC1593347	0.500	246.5 Da LogP 4.68 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCCCS(=O)CCCCCCC`
ZINC1599570	0.500	227.4 Da LogP 4.86 TPSA 3.2	✓ Ro5	✓ Clean	`CCCCCN(CCCCC)CCCCC`
ZINC1605994	0.500	202.4 Da LogP 4.88 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCSCC`
ZINC1606032	0.500	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCC[C@@H](O)CCCCC`
ZINC1606040	0.500	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCC[C@@H](O)CCCCC`
ZINC1606049	0.500	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCC(O)CCCCCC`
ZINC1672455	0.500	226.4 Da LogP 4.07 TPSA 34.1	✓ Ro5	Alert	`CCCCCCC(=O)C(=O)CCCCCC`
ZINC1687262	0.500	213.4 Da LogP 4.52 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCNCC`
ZINC1693894	0.500	212.4 Da LogP 4.89 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC=O`
ZINC1697133	0.500	214.4 Da LogP 4.94 TPSA 9.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCC`
ZINC169808442	0.500	305.1 Da LogP 4.57 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCC[Sn](=O)CCCCCC`
ZINC196468891	0.500	261.0 Da LogP 3.91 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCC[Sn+2]CCCCC`
ZINC20231719	0.500	234.4 Da LogP 3.56 TPSA 34.1	✓ Ro5	✓ Clean	`CCCCCCS(=O)(=O)CCCCCC`
ZINC2166283	0.500	262.5 Da LogP 4.34 TPSA 34.1	✓ Ro5	✓ Clean	`CCCCCCCCS(=O)(=O)CCCCCC`
ZINC221753674	0.500	324.3 Da LogP 4.61 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCC[Sn](Cl)(Cl)Cl`
ZINC2508105	0.500	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCC[C@H](O)CCCCC`
ZINC2509968	0.500	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCC[C@H](O)CCCCCC`
ZINC2528299	0.500	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCC[C@H](O)CCCCC`
ZINC2900787	0.500	228.4 Da LogP 4.61 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCC[N+](CC)(CC)CC`
ZINC45331803	0.500	201.4 Da LogP 3.80 TPSA 35.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCON`
ZINC59631801	0.500	200.4 Da LogP 3.37 TPSA 38.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCNN`
ZINC60107866	0.500	242.5 Da LogP 4.41 TPSA 24.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCNNCCC`
ZINC71773056	0.500	200.4 Da LogP 3.32 TPSA 29.3	✓ Ro5	✓ Clean	`CCCCCCN(N)CCCCCC`
ZINC97973035	0.500	212.4 Da LogP 4.23 TPSA 49.9	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=N)N`

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.