Protein profile

KP13_03586

5-hydroxyisourate hydrolase

Genome: KpKP13

Gene: hiuH AHE45928.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GPC4

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Amino acids 133

Annotations 2

Features 27

PDB binders 10

Druggability 0.299

Overview

Basic information about this protein and its source genome.

Accession: KP13_03586
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: hiuH AHE45928.1
Status: annotated
Amino acids: 133
Structure source: AlphaFold + ColabFold

GO:0006144 The chemical reactions and pathways involving purine nucleobases, one of the two classes of nitrogen-containing ring compounds found in DNA and RNA, which include adenine and guanine. GO:0033971 Catalysis of the reaction: 5-hydroxyisourate + H2O = 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate + H+.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 31.452
Human E-value: 2.28e-10
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 54.135
DEG E-value: 1.56e-46
Localization: Periplasmic
ColabFold pLDDT: 90.94

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 0.299

Structure A0A0H3GPC4

Pocket Pocket 1

P2Rank

Structure A0A0H3GPC4

Pocket No pockets

ColabFold model

FPocket 0.308 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 61 / 4744 genomes with a hit

Normalized 0.013

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

GO:0006144 The chemical reactions and pathways involving purine nucleobases, one of the two classes of nitrogen-containing ring compounds found in DNA and RNA, which include adenine and guanine.
GO:0033971 Catalysis of the reaction: 5-hydroxyisourate + H2O = 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate + H+.

Sequence Features

Domain/signature hits from InterPro and related databases.

27 records

Show feature table

Start	End	DB	Term	Name
22	133	CDD	cd05822	TLP_HIUase
22	133	InterPro	IPR014306	Hydroxyisourate hydrolase
1	2	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
15	18	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
23	133	NCBIfam	TIGR02962	hydroxyisourate hydrolase
23	133	InterPro	IPR014306	Hydroxyisourate hydrolase
1	18	Phobius	SIGNAL_PEPTIDE	Signal peptide region
23	43	PRINTS	PR00189	Transthyretin signature
23	43	InterPro	IPR000895	Transthyretin/hydroxyisourate hydrolase
55	80	PRINTS	PR00189	Transthyretin signature
55	80	InterPro	IPR000895	Transthyretin/hydroxyisourate hydrolase
82	111	PRINTS	PR00189	Transthyretin signature
82	111	InterPro	IPR000895	Transthyretin/hydroxyisourate hydrolase
19	132	SMART	SM00095	transthy-fin
19	132	InterPro	IPR023416	Transthyretin/hydroxyisourate hydrolase domain
20	133	Gene3D	G3DSA:2.60.40.180	Transthyretin/hydroxyisourate hydrolase domain
20	133	InterPro	IPR036817	Transthyretin/hydroxyisourate hydrolase domain superfamily
20	133	PANTHER	PTHR10395	URICASE AND TRANSTHYRETIN-RELATED
20	133	InterPro	IPR023416	Transthyretin/hydroxyisourate hydrolase domain
1	18	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM
3	14	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
24	132	Pfam	PF00576	HIUase/Transthyretin family
24	132	InterPro	IPR023416	Transthyretin/hydroxyisourate hydrolase domain
19	133	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	18	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
22	133	SUPERFAMILY	SSF49472	Transthyretin (synonym: prealbumin)
22	133	InterPro	IPR036817	Transthyretin/hydroxyisourate hydrolase domain superfamily

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_A0A0H3GPC4	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_03586	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				0.299

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				0.308

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.

62 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
27M	6GNM	Q9PTT3	246.2 Da LogP 1.74 TPSA 98.0	✓ Ro5	✓ Clean	`c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O`
6J3	6GNR	Q9PTT3	262.7 Da LogP 3.49 TPSA 62.2	✓ Ro5	✓ Clean	`Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O`
8PF	6GON	Q9PTT3	414.1 Da LogP 4.45 TPSA 37.3	✓ Ro5	✓ Clean	`C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)…`
AZA	2H0F	O32142	153.1 Da LogP -1.67 TPSA 107.3	✓ Ro5	✓ Clean	`c12c([nH]nn1)NC(=O)NC2=O`
F4Z	6GNP	Q9PTT3	198.4 Da LogP 2.75 TPSA 33.1	✓ Ro5	✓ Clean	`c1c(c(nc(c1Cl)Cl)O)Cl`
F52	6GNW	Q9PTT3	255.5 Da LogP 3.11 TPSA 46.5	✓ Ro5	✓ Clean	`c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O`
T3	1SN5	Q9PTT3	651.0 Da LogP 3.95 TPSA 92.8	1 viol.	✓ Clean	`c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O`
T44	3Q1E	Q06S87-2	776.9 Da LogP 4.56 TPSA 92.8	1 viol.	✓ Clean	`c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)…`
URN	2H0J	O32142	142.1 Da LogP -1.77 TPSA 117.8	✓ Ro5	✓ Clean	`C1(=C(NC(=O)NC1=O)N)N`
XDI	6GNO	Q9PTT3	543.9 Da LogP 6.47 TPSA 40.5	2 viol.	✓ Clean	`CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br`

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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL5174982	P07309	—	2479.0 Da LogP 8.07 TPSA 732.8	4 viol.	✓ Clean	`CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](…`
CHEMBL5180672	P07309	—	2608.1 Da LogP 7.42 TPSA 799.2	4 viol.	✓ Clean	`CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](…`

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
ZINC1195	1.000	262.7 Da LogP 3.49 TPSA 62.2	✓ Ro5	✓ Clean	`Cc1c(Cl)cccc1Nc1ncccc1C(=O)O`
ZINC38141478	1.000	314.0 Da LogP 3.17 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F`
ZINC39103	1.000	246.2 Da LogP 1.74 TPSA 98.0	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1O)c1ccc(O)cc1O`
ZINC43443262	1.000	364.1 Da LogP 3.81 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F…`
ZINC56520	1.000	255.5 Da LogP 3.11 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)COc1cc(Cl)c(Cl)cc1Cl`
ZINC6844606	1.000	414.1 Da LogP 4.45 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F…`
ZINC43443190	0.941	264.0 Da LogP 2.54 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F`
ZINC136125	0.826	230.2 Da LogP 2.03 TPSA 77.8	✓ Ro5	✓ Clean	`O=C(c1ccccc1O)c1ccc(O)cc1O`
ZINC95537790	0.824	490.1 Da LogP 4.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F…`
ZINC95681893	0.824	440.1 Da LogP 3.60 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F…`
ZINC95719241	0.824	390.1 Da LogP 2.97 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F…`
ZINC97959338	0.824	340.1 Da LogP 2.33 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O`
ZINC3861259	0.778	214.0 Da LogP 1.90 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)F`
ZINC1682475	0.765	290.1 Da LogP 1.70 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O`
ZINC1621046	0.762	308.0 Da LogP 4.21 TPSA 20.2	✓ Ro5	✓ Clean	`CC(C)(C)c1cc(Br)c(O)c(Br)c1`
ZINC3845152	0.760	262.2 Da LogP 1.45 TPSA 118.2	✓ Ro5	Alert	`O=C(c1ccc(O)cc1O)c1ccc(O)c(O)c1O`
ZINC1824	0.756	242.3 Da LogP 3.14 TPSA 62.2	✓ Ro5	✓ Clean	`Cc1cccc(Nc2ncccc2C(=O)O)c1C`
ZINC37292	0.750	230.2 Da LogP 2.03 TPSA 77.8	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1)c1ccc(O)cc1O`
ZINC3861723	0.750	433.0 Da LogP 1.56 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O`
ZINC3875424	0.750	433.0 Da LogP 1.56 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O`
ZINC11961006	0.733	299.9 Da LogP 3.22 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)COc1cc(Cl)c(Br)cc1Cl`
ZINC1661154	0.733	235.1 Da LogP 2.77 TPSA 46.5	✓ Ro5	✓ Clean	`Cc1cc(OCC(=O)O)c(Cl)cc1Cl`
ZINC1673090	0.733	236.1 Da LogP 2.04 TPSA 72.5	✓ Ro5	✓ Clean	`Nc1cc(OCC(=O)O)c(Cl)cc1Cl`
ZINC1706130	0.733	239.0 Da LogP 2.60 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)COc1cc(F)c(Cl)cc1Cl`
ZINC1587804	0.727	274.2 Da LogP 1.57 TPSA 115.1	✓ Ro5	Alert	`O=C(C(=O)c1ccc(O)cc1O)c1ccc(O)cc1O`
ZINC1648594	0.719	312.5 Da LogP 2.23 TPSA 75.6	✓ Ro5	✓ Clean	`O=C(O)CNC(=O)COc1cc(Cl)c(Cl)cc1Cl`
ZINC439984	0.704	258.2 Da LogP 2.03 TPSA 94.8	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1ccc(O)cc1O`
ZINC1532902	0.700	206.2 Da LogP -0.86 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O`
ZINC1605364	0.700	214.6 Da LogP 2.42 TPSA 46.5	✓ Ro5	✓ Clean	`Cc1cc(Cl)c(OCC(=O)O)cc1C`
ZINC2018106	0.700	206.2 Da LogP -0.86 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)CC[C@](O)(CC(=O)O)C(=O)O`
ZINC306683428	0.696	310.0 Da LogP 3.14 TPSA 40.5	✓ Ro5	✓ Clean	`CC(C)(O)c1cc(Br)c(O)c(Br)c1`
ZINC225430	0.692	214.2 Da LogP 2.33 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(c1ccccc1)c1ccc(O)cc1O`
ZINC3845149	0.692	262.2 Da LogP 1.45 TPSA 118.2	✓ Ro5	Alert	`O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)cc1O`
ZINC1234073	0.690	254.5 Da LogP 2.51 TPSA 52.3	✓ Ro5	✓ Clean	`NC(=O)COc1cc(Cl)c(Cl)cc1Cl`
ZINC232085	0.679	228.2 Da LogP 2.64 TPSA 57.5	✓ Ro5	✓ Clean	`Cc1ccccc1C(=O)c1ccc(O)cc1O`
ZINC32502191	0.679	232.2 Da LogP 2.47 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1O)c1ccccc1F`
ZINC1713868	0.675	321.1 Da LogP 1.26 TPSA 83.6	✓ Ro5	✓ Clean	`Cc1cc(C[C@H](N)C(=O)O)cc(I)c1O`
ZINC17353379	0.675	321.1 Da LogP 1.26 TPSA 83.6	✓ Ro5	✓ Clean	`Cc1cc(C[C@@H](N)C(=O)O)cc(I)c1O`
ZINC1467	0.674	296.2 Da LogP 3.85 TPSA 62.2	✓ Ro5	✓ Clean	`Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F`
ZINC1329558	0.667	228.3 Da LogP 2.83 TPSA 62.2	✓ Ro5	✓ Clean	`Cc1ccccc1Nc1ncccc1C(=O)O`
ZINC1680047	0.667	283.5 Da LogP 3.89 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl`
ZINC1847484	0.667	240.1 Da LogP 1.06 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)O`
ZINC2512313	0.667	246.2 Da LogP 1.74 TPSA 98.0	✓ Ro5	Alert	`O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O`
ZINC334858	0.667	269.5 Da LogP 3.50 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)CCOc1cc(Cl)c(Cl)cc1Cl`
ZINC2188	0.659	261.7 Da LogP 4.09 TPSA 49.3	✓ Ro5	✓ Clean	`Cc1c(Cl)cccc1Nc1ccccc1C(=O)O`
ZINC2526120	0.656	200.6 Da LogP 2.11 TPSA 46.5	✓ Ro5	✓ Clean	`Cc1ccc(Cl)c(OCC(=O)O)c1`
ZINC3593496	0.652	206.2 Da LogP -1.16 TPSA 121.1	✓ Ro5	✓ Clean	`COC(=O)C[C@@](O)(CC(=O)O)C(=O)O`
ZINC3593497	0.652	206.2 Da LogP -1.16 TPSA 121.1	✓ Ro5	✓ Clean	`COC(=O)C[C@](O)(CC(=O)O)C(=O)O`
ZINC1606602	0.647	266.0 Da LogP 2.37 TPSA 89.7	✓ Ro5	✓ Clean	`O=C(O)COc1cc([N+](=O)[O-])c(Cl)cc1Cl`
ZINC5105069	0.645	221.0 Da LogP 2.46 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)COc1cc(Cl)ccc1Cl`

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.