Protein profile

VK055_5017

tyrosine-protein kinase etk

Genome: KpATCC43816

Gene: etk AIK83543.1 Structure source: AlphaFold + ColabFold UniProt A0A193SCS4

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Amino acids 722

Annotations 8

Features 24

PDB binders 1

Druggability 0.741

Overview

Basic information about this protein and its source genome.

Accession: VK055_5017
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: etk AIK83543.1
Status: annotated
Amino acids: 722
Structure source: AlphaFold + ColabFold

2.7.10.-

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0009103 The chemical reactions and pathways resulting in the formation of lipopolysaccharides, any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria. GO:0045226 OBSOLETE. The chemical reactions and pathways resulting in the formation of polysaccharides used in extracellular structures. GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0042802 Binding to an identical protein or proteins.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 34.365
Localization: CytoplasmicMembrane
ColabFold pLDDT: 85.45

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 0.741

Structure A0A193SCS4

Pocket Pocket 22

P2Rank 0.368

Structure A0A193SCS4

Pocket Pocket 1

ColabFold model

FPocket 0.575 · Pocket 64

P2Rank 0.298 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 72 / 4744 genomes with a hit

Normalized 0.015

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 7 GO

Enzyme Commission (EC)

2.7.10.-

Gene Ontology (GO)

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0009103 The chemical reactions and pathways resulting in the formation of lipopolysaccharides, any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria.
GO:0045226 OBSOLETE. The chemical reactions and pathways resulting in the formation of polysaccharides used in extracellular structures.
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
GO:0042802 Binding to an identical protein or proteins.
GO:0004713 Catalysis of the reaction: ATP + a protein tyrosine = ADP + protein tyrosine phosphate.

Sequence Features

Domain/signature hits from InterPro and related databases.

24 records

Show feature table

Start	End	DB	Term	Name
540	652	Pfam	PF13614	AAA domain
540	652	InterPro	IPR025669	AAA domain
14	105	Pfam	PF02706	Chain length determinant protein
14	105	InterPro	IPR003856	Polysaccharide chain length determinant N-terminal domain
256	290	Coils	Coil	Coil
509	713	NCBIfam	TIGR01007	polysaccharide biosynthesis tyrosine autokinase
509	713	InterPro	IPR005702	Tyrosine-protein kinase wzc-like, C-terminal domain
6	711	PANTHER	PTHR32309	TYROSINE-PROTEIN KINASE
509	698	CDD	cd05387	BY-kinase
50	425	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
427	449	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
31	49	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
529	703	SUPERFAMILY	SSF52540	P-loop containing nucleoside triphosphate hydrolases
529	703	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
426	450	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	30	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
368	447	Pfam	PF13807	G-rich domain on putative tyrosine kinase
368	447	InterPro	IPR032807	Tyrosine kinase, G-rich domain
31	53	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
446	721	FunFam	G3DSA:3.40.50.300:FF:000527	Tyrosine-protein kinase etk
451	722	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
342	362	Coils	Coil	Coil
444	721	Gene3D	G3DSA:3.40.50.300	-
444	721	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase

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_A0A193SCS4	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_5017	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
22				0.741
48				0.516

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	6.2	0.309
2	3.34	0.118
3	3.27	0.114
4	1.36	0.016
5	1.31	0.014

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
64				0.575
25				0.303
2				0.232

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	4.51	0.193
2	2.84	0.089
3	1.89	0.038
4	1.34	0.015

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.

51 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
PTR	6U1Q	Q9KTG5	261.2 Da LogP 0.11 TPSA 130.1	✓ Ro5	✓ Clean	`c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O`

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
ZINC1530464	1.000	261.2 Da LogP 0.11 TPSA 130.1	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O`
ZINC5273617	1.000	261.2 Da LogP 0.11 TPSA 130.1	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O`
ZINC3223655	0.649	231.2 Da LogP 1.24 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(OC(F)F)cc1)C(=O)O`
ZINC3223656	0.649	231.2 Da LogP 1.24 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(OC(F)F)cc1)C(=O)O`
ZINC13650361	0.639	245.2 Da LogP -0.56 TPSA 120.9	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(P(=O)(O)O)cc1)C(=O)O`
ZINC13650362	0.639	245.2 Da LogP -0.56 TPSA 120.9	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(P(=O)(O)O)cc1)C(=O)O`
ZINC1550959	0.639	259.2 Da LogP 0.32 TPSA 120.9	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)O`
ZINC20112424	0.639	259.2 Da LogP 0.32 TPSA 120.9	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)O`
ZINC1747046	0.622	223.2 Da LogP 0.57 TPSA 89.6	✓ Ro5	✓ Clean	`CC(=O)Oc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC21984106	0.622	283.2 Da LogP -0.44 TPSA 147.2	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(=O)O`
ZINC2539998	0.622	283.2 Da LogP -0.44 TPSA 147.2	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(=O)O`
ZINC44283581	0.622	257.3 Da LogP 2.43 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O`
ZINC44283583	0.622	257.3 Da LogP 2.43 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O`
ZINC5434346	0.622	223.2 Da LogP 0.57 TPSA 89.6	✓ Ro5	✓ Clean	`CC(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC1676579	0.605	209.2 Da LogP 1.04 TPSA 72.5	✓ Ro5	✓ Clean	`CCOc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC2045474	0.605	209.2 Da LogP 1.04 TPSA 72.5	✓ Ro5	✓ Clean	`CCOc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC25494311	0.605	223.3 Da LogP 1.43 TPSA 72.5	✓ Ro5	✓ Clean	`CC(C)Oc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC25494315	0.605	223.3 Da LogP 1.43 TPSA 72.5	✓ Ro5	✓ Clean	`CC(C)Oc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC35855168	0.605	213.2 Da LogP 0.95 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(OCF)cc1)C(=O)O`
ZINC403598	0.605	273.3 Da LogP 2.14 TPSA 92.8	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O`
ZINC403599	0.605	273.3 Da LogP 2.14 TPSA 92.8	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O`
ZINC128264	0.590	249.2 Da LogP 1.54 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)O`
ZINC14824920	0.590	261.3 Da LogP -0.18 TPSA 126.9	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)O`
ZINC2556660	0.590	261.3 Da LogP -0.18 TPSA 126.9	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)O`
ZINC44284635	0.590	271.3 Da LogP 2.32 TPSA 72.5	✓ Ro5	✓ Clean	`COc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1`
ZINC44284637	0.590	271.3 Da LogP 2.32 TPSA 72.5	✓ Ro5	✓ Clean	`COc1ccc(-c2ccc(C[C@@H](N)C(=O)O)cc2)cc1`
ZINC4727958	0.590	249.2 Da LogP 1.54 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)O`
ZINC4899430	0.590	237.3 Da LogP 1.82 TPSA 72.5	✓ Ro5	✓ Clean	`CC(C)(C)Oc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC4899542	0.590	237.3 Da LogP 1.82 TPSA 72.5	✓ Ro5	✓ Clean	`CC(C)(C)Oc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC39351856	0.588	328.4 Da LogP 1.26 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1)C…`
ZINC2575618	0.583	208.2 Da LogP -0.26 TPSA 106.4	✓ Ro5	✓ Clean	`NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1`
ZINC4241956	0.583	208.2 Da LogP -0.26 TPSA 106.4	✓ Ro5	✓ Clean	`NC(=O)c1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC133159	0.575	271.3 Da LogP 2.22 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O`
ZINC133162	0.575	271.3 Da LogP 2.22 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O`
ZINC2540071	0.575	221.3 Da LogP 1.21 TPSA 72.5	✓ Ro5	✓ Clean	`C=CCOc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC34027765	0.575	221.3 Da LogP 1.21 TPSA 72.5	✓ Ro5	✓ Clean	`C=CCOc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC34040392	0.575	288.1 Da LogP 1.41 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(OCCBr)cc1)C(=O)O`
ZINC6159669	0.575	237.3 Da LogP 1.68 TPSA 72.5	✓ Ro5	✓ Clean	`CC(C)COc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC6159670	0.575	237.3 Da LogP 1.68 TPSA 72.5	✓ Ro5	✓ Clean	`CC(C)COc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC6535747	0.575	227.2 Da LogP 0.99 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(OCCF)cc1)C(=O)O`
ZINC6593413	0.575	223.3 Da LogP 1.43 TPSA 72.5	✓ Ro5	✓ Clean	`CCCOc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC6593416	0.575	223.3 Da LogP 1.43 TPSA 72.5	✓ Ro5	✓ Clean	`CCCOc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC113352019	0.561	219.2 Da LogP 0.65 TPSA 72.5	✓ Ro5	✓ Clean	`C#CCOc1ccc(C[C@@H](N)C(=O)O)cc1`
ZINC1563638	0.561	347.4 Da LogP 3.81 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(OC(c2ccccc2)c2ccccc2)cc1)C(=O)O`
ZINC2028380	0.561	347.4 Da LogP 3.81 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(OC(c2ccccc2)c2ccccc2)cc1)C(=O)O`
ZINC221302437	0.561	399.2 Da LogP 3.45 TPSA 72.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c…`
ZINC34428342	0.561	219.2 Da LogP 0.65 TPSA 72.5	✓ Ro5	✓ Clean	`C#CCOc1ccc(C[C@H](N)C(=O)O)cc1`
ZINC8378980	0.561	295.2 Da LogP 0.87 TPSA 120.9	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)O`
ZINC6092920	0.556	223.2 Da LogP 0.27 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(CC(=O)O)cc1)C(=O)O`
ZINC6506146	0.556	223.2 Da LogP 0.27 TPSA 100.6	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(CC(=O)O)cc1)C(=O)O`

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.