Protein profile

KP13_02353

L-fuculokinase

Genome: KpKP13

Gene: fucK AHE42923.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GUK2

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Amino acids 454

Annotations 7

Features 21

PDB binders 10

Druggability 0.236

Overview

Basic information about this protein and its source genome.

Accession: KP13_02353
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: fucK AHE42923.1
Status: annotated
Amino acids: 454
Structure source: AlphaFold + ColabFold

2.7.1.51

GO:0016773 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to an alcohol group (acceptor). GO:0008737 Catalysis of the reaction: L-fuculose + ATP = L-fuculose 1-phosphate + ADP + 2 H+. GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule. GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0042355 The chemical reactions and pathways resulting in the breakdown of L-fucose (6-deoxy-Lgalactose).

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 22.715
Human E-value: 2.22e-07
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 42.982
DEG E-value: 3.31e-124
Localization: Cytoplasmic
ColabFold pLDDT: 95.37

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 0.236

Structure A0A0H3GUK2

Pocket Pocket 1

P2Rank 0.945

Structure A0A0H3GUK2

Pocket Pocket 1

ColabFold model

FPocket 0.813 · Pocket 18

P2Rank 0.889 · Pocket 1

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 52 / 4744 genomes with a hit

Normalized 0.011

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

2.7.1.51

Gene Ontology (GO)

GO:0016773 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to an alcohol group (acceptor).
GO:0008737 Catalysis of the reaction: L-fuculose + ATP = L-fuculose 1-phosphate + ADP + 2 H+.
GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
GO:0042355 The chemical reactions and pathways resulting in the breakdown of L-fucose (6-deoxy-Lgalactose).

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records

Show feature table

Start	End	DB	Term	Name
2	231	Pfam	PF00370	FGGY family of carbohydrate kinases, N-terminal domain
2	231	InterPro	IPR018484	Carbohydrate kinase, FGGY, N-terminal
228	453	Gene3D	G3DSA:3.30.420.40	-
1	445	NCBIfam	TIGR02628	L-fuculokinase
1	445	InterPro	IPR013450	L-fuculokinase
238	450	SUPERFAMILY	SSF53067	Actin-like ATPase domain
238	450	InterPro	IPR043129	ATPase, nucleotide binding domain
116	128	ProSitePatterns	PS00933	FGGY family of carbohydrate kinases signature 1.
116	128	InterPro	IPR018483	Carbohydrate kinase, FGGY, conserved site
3	447	PANTHER	PTHR43095	SUGAR KINASE
241	420	Pfam	PF02782	FGGY family of carbohydrate kinases, C-terminal domain
241	420	InterPro	IPR018485	Carbohydrate kinase, FGGY, C-terminal
1	227	FunFam	G3DSA:3.30.420.40:FF:000159	L-fuculokinase
333	353	ProSitePatterns	PS00445	FGGY family of carbohydrate kinases signature 2.
333	353	InterPro	IPR018483	Carbohydrate kinase, FGGY, conserved site
228	450	FunFam	G3DSA:3.30.420.40:FF:000161	L-fuculokinase
1	454	PIRSF	PIRSF000538	GlpK
1	454	InterPro	IPR000577	Carbohydrate kinase, FGGY
1	227	Gene3D	G3DSA:3.30.420.40	-
2	234	SUPERFAMILY	SSF53067	Actin-like ATPase domain
2	234	InterPro	IPR043129	ATPase, nucleotide binding domain

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_A0A0H3GUK2	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_02353	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
1				0.236

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	16.01	0.768
2	7.36	0.385
3	5.71	0.277
4	2.11	0.048
5	0.78	0.002

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
18				0.813
24				0.52

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	19.5	0.84
2	12.78	0.662
3	3.94	0.156
4	3.71	0.141
5	1.07	0.007

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.

60 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
4NP	5AZI	D3KVM3	219.1 Da LogP 1.07 TPSA 109.9	✓ Ro5	✓ Clean	`c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O`
6XZ	5GN5	D3KVM3	382.4 Da LogP 2.54 TPSA 86.4	✓ Ro5	Alert	`COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O`
6Y0	5GN6	D3KVM3	234.3 Da LogP 2.55 TPSA 70.7	✓ Ro5	Alert	`CCCCC1=CC(=O)Oc2c1ccc(c2O)O`
ANP	6J9Q	D3KVM3	506.2 Da LogP -2.06 TPSA 281.9	3 viol.	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…`
DXP	3LL3	Q5FM28	214.1 Da LogP -1.59 TPSA 124.3	✓ Ro5	✓ Clean	`CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O`
G3P	3WXJ	D3KVM3	172.1 Da LogP -1.55 TPSA 107.2	✓ Ro5	✓ Clean	`C([C@H](COP(=O)(O)O)O)O`
LFR	2CGL	P32171	180.2 Da LogP -3.22 TPSA 110.4	✓ Ro5	✓ Clean	`C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O`
NH4	2ITM	P09099	18.0 Da LogP 0.38 TPSA 36.5	✓ Ro5	✓ Clean	`[NH4+]`
POP	6JAF	D3KVM3	176.0 Da LogP -2.08 TPSA 129.9	✓ Ro5	✓ Clean	`O[P@@](=O)([O-])O[P@@](=O)(O)[O-]`
XUL	2ITM	P09099	150.1 Da LogP -2.74 TPSA 98.0	✓ Ro5	✓ Clean	`C([C@H]([C@@H](C(=O)CO)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
ZINC1529638	1.000	219.1 Da LogP 1.07 TPSA 109.9	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1`
ZINC2865681	1.000	234.3 Da LogP 2.55 TPSA 70.7	✓ Ro5	Alert	`CCCCc1cc(=O)oc2c(O)c(O)ccc12`
ZINC54219977	1.000	382.4 Da LogP 2.54 TPSA 86.4	✓ Ro5	Alert	`COc1ccc(N2CCN(Cc3cc(=O)oc4c(O)c(O)ccc34)CC2)cc1`
ZINC13551953	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O`
ZINC13761953	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O`
ZINC4095790	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O`
ZINC4097479	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O`
ZINC65743154	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O`
ZINC65743155	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@H](O)[C@H](O)[C@@H]1O`
ZINC65743156	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@H](O)[C@@H]1O`
ZINC95884212	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O`
ZINC5547487	0.838	220.2 Da LogP 2.16 TPSA 70.7	✓ Ro5	Alert	`CCCc1cc(=O)oc2c(O)c(O)ccc12`
ZINC54105934	0.830	380.4 Da LogP 3.14 TPSA 66.2	✓ Ro5	Alert	`COc1ccc(N2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1`
ZINC12360002	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC12360703	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC12503599	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC16546165	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OP(=O)(…`
ZINC31977053	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…`
ZINC4806433	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC53683898	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC8586019	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…`
ZINC8586020	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC8586021	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)OP(=O…`
ZINC8586022	0.810	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC1529745	0.786	340.2 Da LogP 3.06 TPSA 142.0	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccc([N+](=O)[O-])…`
ZINC1902771	0.775	232.3 Da LogP 3.15 TPSA 50.4	✓ Ro5	✓ Clean	`CCCCc1cc(=O)oc2c(C)c(O)ccc12`
ZINC615051	0.757	206.2 Da LogP 1.77 TPSA 70.7	✓ Ro5	Alert	`CCc1cc(=O)oc2c(O)c(O)ccc12`
ZINC54147570	0.755	370.4 Da LogP 2.67 TPSA 77.2	✓ Ro5	Alert	`O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2ccc(O)c(O)c2o1`
ZINC54147573	0.750	352.4 Da LogP 2.53 TPSA 77.2	✓ Ro5	Alert	`O=c1cc(CN2CCN(c3ccccc3)CC2)c2ccc(O)c(O)c2o1`
ZINC13518964	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…`
ZINC1532515	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…`
ZINC1571045	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…`
ZINC1842158	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…`
ZINC2046931	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…`
ZINC2126310	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…`
ZINC3201891	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…`
ZINC3201893	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…`
ZINC3830180	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…`
ZINC3860156	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…`
ZINC3977897	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O…`
ZINC4806442	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…`
ZINC8613167	0.741	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…`
ZINC57435033	0.741	382.4 Da LogP 2.54 TPSA 86.4	✓ Ro5	Alert	`COc1ccc(N2CCN(Cc3cc(=O)oc4cc(O)c(O)cc34)CC2)cc1`
ZINC58451816	0.741	366.4 Da LogP 2.83 TPSA 66.2	✓ Ro5	Alert	`COc1ccc(N2CCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)cc1`
ZINC6519844	0.733	217.1 Da LogP 1.79 TPSA 89.7	✓ Ro5	✓ Clean	`C[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1`
ZINC4096224	0.729	346.2 Da LogP -1.90 TPSA 191.9	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](N)(=O)O)[C@@…`
ZINC54105859	0.727	378.5 Da LogP 3.74 TPSA 45.9	✓ Ro5	Alert	`COc1ccc(N2CCN(Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)cc1`
ZINC54105925	0.727	400.5 Da LogP 4.28 TPSA 45.9	✓ Ro5	Alert	`COc1ccc(N2CCN(Cc3cc(=O)oc4c3ccc3ccccc34)CC2)cc1`
ZINC54105954	0.727	380.4 Da LogP 3.14 TPSA 66.2	✓ Ro5	Alert	`COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(O)cc34)CC2)cc1`
ZINC12503850	0.726	427.3 Da LogP -2.04 TPSA 229.4	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=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.