Protein profile

KP13_02814

Urease subunit gamma

Genome: KpKP13

Gene: AHE42616.1 ureA Structure source: Experimental + ColabFold UniProt Q02943

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Amino acids 100

Annotations 6

Features 18

PDB binders 2

Druggability 0.492

Overview

Basic information about this protein and its source genome.

Accession: KP13_02814
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE42616.1 ureA
Status: annotated
Amino acids: 100
Structure source: Experimental + ColabFold

3.5.1.5

GO:0043419 The chemical reactions and pathways resulting in the breakdown of urea, the water soluble compound O=C-(NH2)2. GO:0009039 Catalysis of the reaction: urea + 2 H2O + H+ = hydrogencarbonate + 2 NH4+. GO:0016151 Binding to a nickel (Ni) cation. GO:0019627 The chemical reactions and pathways involving urea, the water soluble compound O=C-(NH2)2. GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.

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 (%): 63.0
DEG E-value: 2.47e-43
Localization: Cytoplasmic
ColabFold pLDDT: 97.85

Selected Druggability evidence

PDB experimental structure

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 0.492

Structure 8HCN

Pocket Pocket 2

P2Rank

Structure 8HCN

Pocket No pockets

ColabFold model

FPocket 0.686 · Pocket 6

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 359 / 4744 genomes with a hit

Normalized 0.076

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 5 GO

Enzyme Commission (EC)

3.5.1.5

Gene Ontology (GO)

GO:0043419 The chemical reactions and pathways resulting in the breakdown of urea, the water soluble compound O=C-(NH2)2.
GO:0009039 Catalysis of the reaction: urea + 2 H2O + H+ = hydrogencarbonate + 2 NH4+.
GO:0016151 Binding to a nickel (Ni) cation.
GO:0019627 The chemical reactions and pathways involving urea, the water soluble compound O=C-(NH2)2.
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records

Show feature table

Start	End	DB	Term	Name
1	99	PANTHER	PTHR33569	UREASE
4	99	CDD	cd00390	Urease_gamma
4	99	InterPro	IPR002026	Urease, gamma/gamma-beta subunit
1	10	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
28	100	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	100	Hamap	MF_00739	Urease subunit gamma [ureA].
1	100	InterPro	IPR012010	Urease, gamma subunit
20	27	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
11	19	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
1	99	NCBIfam	TIGR00193	urease subunit gamma
1	99	InterPro	IPR002026	Urease, gamma/gamma-beta subunit
1	99	SUPERFAMILY	SSF54111	Urease, gamma-subunit
1	99	InterPro	IPR036463	Urease, gamma subunit superfamily
1	100	PIRSF	PIRSF001223	Urease_gamma
1	100	Gene3D	G3DSA:3.30.280.10	-
1	100	InterPro	IPR036463	Urease, gamma subunit superfamily
1	99	Pfam	PF00547	Urease, gamma subunit
1	27	Phobius	SIGNAL_PEPTIDE	Signal peptide region

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

1 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
PDB 8HCN	X-ray	20.00 Å	-	—	PDBe RCSB PDBj File	Viewing
ColabFold KP13_02814	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
45				0.924
3				0.821
47				0.8
7				0.672

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	21.0	0.864
2	16.33	0.776
3	14.14	0.713
4	13.01	0.671
5	12.75	0.661

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
6				0.686

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.

52 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
DBX	5FSD	P41022	190.2 Da LogP 0.34 TPSA 94.8	✓ Ro5	✓ Clean	`c1cc(c(cc1O)S(=O)(=O)O)O`
HQE	5FSE	P41022	110.1 Da LogP 1.10 TPSA 40.5	✓ Ro5	✓ Clean	`c1cc(ccc1O)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
ZINC13558894	0.727	262.3 Da LogP 4.43 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cc1`
ZINC1700194	0.654	254.2 Da LogP -0.11 TPSA 129.0	✓ Ro5	✓ Clean	`O=S(=O)(O)c1ccc(O)c(S(=O)(=O)O)c1`
ZINC2570177	0.630	208.6 Da LogP 1.29 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cc(Cl)ccc1O`
ZINC391103	0.615	220.0 Da LogP 2.00 TPSA 20.2	✓ Ro5	✓ Clean	`Oc1ccc(I)cc1`
ZINC1601787	0.609	270.2 Da LogP -0.41 TPSA 149.2	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cc(O)c(S(=O)(=O)O)cc1O`
ZINC1621206	0.607	230.3 Da LogP 1.94 TPSA 74.6	✓ Ro5	✓ Clean	`CC(C)(C)c1ccc(O)c(S(=O)(=O)O)c1`
ZINC2510090	0.586	202.2 Da LogP 0.45 TPSA 91.7	✓ Ro5	✓ Clean	`O=Cc1ccc(O)c(S(=O)(=O)O)c1`
ZINC34049542	0.583	270.2 Da LogP -0.41 TPSA 149.2	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cc(S(=O)(=O)O)c(O)cc1O`
ZINC12428972	0.571	214.2 Da LogP 3.51 TPSA 65.2	✓ Ro5	Alert	`Oc1ccc(/N=N/c2ccc(O)cc2)cc1`
ZINC13319959	0.571	212.2 Da LogP 3.27 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(/C=C\c2ccc(O)cc2)cc1`
ZINC136152	0.571	200.2 Da LogP 2.69 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(Cc2ccc(O)cc2)cc1`
ZINC136154	0.571	218.3 Da LogP 3.25 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(Sc2ccc(O)cc2)cc1`
ZINC1510311	0.571	212.2 Da LogP 3.27 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(/C=C/c2ccc(O)cc2)cc1`
ZINC1562031	0.571	214.3 Da LogP 2.88 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(CCc2ccc(O)cc2)cc1`
ZINC1627219	0.571	208.6 Da LogP 1.29 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(O)c1ccc(O)cc1Cl`
ZINC186362	0.571	201.2 Da LogP 2.84 TPSA 52.5	✓ Ro5	✓ Clean	`Oc1ccc(Nc2ccc(O)cc2)cc1`
ZINC1875408805	0.571	212.2 Da LogP 3.27 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(C=Cc2ccc(O)cc2)cc1`
ZINC254488515	0.571	214.2 Da LogP 3.51 TPSA 65.2	✓ Ro5	Alert	`Oc1ccc(N=Nc2ccc(O)cc2)cc1`
ZINC283706	0.571	294.3 Da LogP 4.68 TPSA 58.9	✓ Ro5	✓ Clean	`Oc1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1`
ZINC2924369	0.571	242.2 Da LogP 2.16 TPSA 74.6	✓ Ro5	Alert	`O=C(C(=O)c1ccc(O)cc1)c1ccc(O)cc1`
ZINC33961815	0.571	210.2 Da LogP 2.50 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(C#Cc2ccc(O)cc2)cc1`
ZINC39365182	0.571	384.4 Da LogP 4.89 TPSA 80.9	✓ Ro5	✓ Clean	`Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(O)cc2)c…`
ZINC394643	0.571	202.2 Da LogP 2.89 TPSA 49.7	✓ Ro5	✓ Clean	`Oc1ccc(Oc2ccc(O)cc2)cc1`
ZINC4887214	0.571	292.3 Da LogP 3.98 TPSA 60.7	✓ Ro5	✓ Clean	`Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1`
ZINC4963136	0.571	311.4 Da LogP 3.90 TPSA 60.7	✓ Ro5	✓ Clean	`Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1`
ZINC15768845	0.567	422.4 Da LogP 2.17 TPSA 149.2	✓ Ro5	✓ Clean	`O=S(=O)(c1cccc(S(=O)(=O)c2cc(O)ccc2O)c1)c1cc(O)…`
ZINC15769684	0.567	498.5 Da LogP 3.84 TPSA 149.2	✓ Ro5	✓ Clean	`O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)c3cc(O)ccc3O)cc2)…`
ZINC36686	0.567	250.3 Da LogP 1.93 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(c1ccccc1)c1cc(O)ccc1O`
ZINC1724272	0.548	219.2 Da LogP 0.55 TPSA 117.7	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O)c(S(=O)(=O)O)c1`
ZINC1691305	0.538	320.3 Da LogP 0.74 TPSA 149.2	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cc2cc(S(=O)(=O)O)c(O)cc2cc1O`
ZINC1306	0.533	240.3 Da LogP 4.05 TPSA 40.5	✓ Ro5	✓ Clean	`C/C(=C(/C)c1ccc(O)cc1)c1ccc(O)cc1`
ZINC2034791	0.533	240.3 Da LogP 4.05 TPSA 40.5	✓ Ro5	✓ Clean	`C/C(=C(\C)c1ccc(O)cc1)c1ccc(O)cc1`
ZINC28449	0.533	214.2 Da LogP 2.33 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1)c1ccc(O)cc1`
ZINC332365	0.533	318.3 Da LogP 3.56 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1)c1ccc(C(=O)c2ccc(O)cc2)cc1`
ZINC4327575	0.533	212.2 Da LogP 3.16 TPSA 40.5	✓ Ro5	✓ Clean	`C=C(c1ccc(O)cc1)c1ccc(O)cc1`
ZINC1760471	0.531	265.3 Da LogP 1.51 TPSA 100.6	✓ Ro5	✓ Clean	`Nc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1`
ZINC257795	0.531	284.7 Da LogP 2.58 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(c1ccc(Cl)cc1)c1cc(O)ccc1O`
ZINC36613	0.531	264.3 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`Cc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1`
ZINC366453	0.531	329.2 Da LogP 2.69 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(c1ccc(Br)cc1)c1cc(O)ccc1O`
ZINC2187161	0.516	224.2 Da LogP 1.79 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cccc2cc(O)ccc12`
ZINC104366597	0.515	278.3 Da LogP 3.05 TPSA 99.3	✓ Ro5	Alert	`O=S(=O)(O)c1cc(/N=N\c2ccccc2)ccc1O`
ZINC1719266	0.515	265.3 Da LogP 1.90 TPSA 86.6	✓ Ro5	✓ Clean	`O=S(=O)(Nc1ccccc1)c1cc(O)ccc1O`
ZINC4804116	0.515	278.3 Da LogP 3.05 TPSA 99.3	✓ Ro5	Alert	`O=S(=O)(O)c1cc(/N=N/c2ccccc2)ccc1O`
ZINC113289810	0.500	357.4 Da LogP 3.99 TPSA 99.4	✓ Ro5	✓ Clean	`Oc1ccc(-c2nc(-c3ccc(O)cc3)nc(-c3ccc(O)cc3)n2)cc1`
ZINC1577151	0.500	304.3 Da LogP 1.04 TPSA 129.0	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(O)ccc2c1`
ZINC1700211	0.500	224.2 Da LogP 1.79 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cccc2ccc(O)cc12`
ZINC2529860	0.500	286.2 Da LogP 3.98 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(C(F)(F)C(F)(F)c2ccc(O)cc2)cc1`
ZINC257798	0.500	278.3 Da LogP 2.55 TPSA 74.6	✓ Ro5	✓ Clean	`Cc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1C`
ZINC2579046	0.500	296.1 Da LogP 3.66 TPSA 20.2	✓ Ro5	✓ Clean	`Oc1ccc(-c2ccc(I)cc2)cc1`
ZINC27646236	0.500	278.3 Da LogP 4.14 TPSA 60.7	✓ Ro5	✓ Clean	`Oc1ccc(-c2ccc(-c3cc(O)cc(O)c3)cc2)cc1`

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.