Protein profile

KP13_05226

5-hydroxyisourate hydrolase

Genome: KpKP13

Gene: AHE44633.1 hpxT Structure source: Experimental + ColabFold UniProt A6T926

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Amino acids 108

Annotations 2

Features 12

PDB binders 3

Druggability 0.295

Overview

Basic information about this protein and its source genome.

Accession: KP13_05226
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE44633.1 hpxT
Status: annotated
Amino acids: 108
Structure source: Experimental + 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: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Unknown
ColabFold pLDDT: 95.78

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 0.295

Structure 3QVA

Pocket Pocket 2

P2Rank

Structure 3QVA

Pocket No pockets

ColabFold model

FPocket 0.562 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 32 / 4744 genomes with a hit

Normalized 0.007

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.

12 records

Show feature table

Start	End	DB	Term	Name
1	108	SUPERFAMILY	SSF49472	Transthyretin (synonym: prealbumin)
1	108	InterPro	IPR036817	Transthyretin/hydroxyisourate hydrolase domain superfamily
2	108	CDD	cd05822	TLP_HIUase
2	108	InterPro	IPR014306	Hydroxyisourate hydrolase
4	107	Pfam	PF00576	HIUase/Transthyretin family
4	107	InterPro	IPR023416	Transthyretin/hydroxyisourate hydrolase domain
7	22	ProSitePatterns	PS00768	Transthyretin signature 1.
7	22	InterPro	IPR023418	Transthyretin, thyroxine binding site
1	108	Gene3D	G3DSA:2.60.40.180	Transthyretin/hydroxyisourate hydrolase domain
2	108	PANTHER	PTHR10395	URICASE AND TRANSTHYRETIN-RELATED
2	108	InterPro	IPR023416	Transthyretin/hydroxyisourate hydrolase domain
2	108	NCBIfam	TIGR02962	hydroxyisourate 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

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 3QVA	X-ray	20.00 Å	-	—	PDBe RCSB PDBj File	Viewing
ColabFold KP13_05226	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
2				0.444

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	21.34	0.869
2	16.36	0.777
3	12.66	0.658
4	0.87	0.003

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				0.562

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.

53 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
AZA	2H0F	O32142	153.1 Da LogP -1.67 TPSA 107.3	✓ Ro5	✓ Clean	`c12c([nH]nn1)NC(=O)NC2=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`

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
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`
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`
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`
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`
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`
ZINC14686440	0.625	436.4 Da LogP -2.64 TPSA 247.9	1 viol.	✓ Clean	`O=C(O)C[C@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=O…`
ZINC14686442	0.625	436.4 Da LogP -2.64 TPSA 247.9	1 viol.	✓ Clean	`O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@](O)(CC(=O…`
ZINC14686444	0.625	436.4 Da LogP -2.64 TPSA 247.9	1 viol.	✓ Clean	`O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=…`
ZINC13560821	0.585	447.0 Da LogP 1.64 TPSA 72.5	✓ Ro5	✓ Clean	`COC(=O)[C@H](N)Cc1cc(I)c(O)c(I)c1`
ZINC15119189	0.585	447.0 Da LogP 1.64 TPSA 72.5	✓ Ro5	✓ Clean	`COC(=O)[C@@H](N)Cc1cc(I)c(O)c(I)c1`
ZINC13398039	0.577	234.2 Da LogP -0.38 TPSA 121.1	✓ Ro5	✓ Clean	`CC(C)OC(=O)C[C@](O)(CC(=O)O)C(=O)O`
ZINC2528012	0.577	234.2 Da LogP -0.38 TPSA 121.1	✓ Ro5	✓ Clean	`CC(C)OC(=O)C[C@@](O)(CC(=O)O)C(=O)O`
ZINC4513897	0.575	432.0 Da LogP 1.43 TPSA 89.3	✓ Ro5	✓ Clean	`Nc1c(I)cc(C[C@H](N)C(=O)O)cc1I`
ZINC4513900	0.575	432.0 Da LogP 1.43 TPSA 89.3	✓ Ro5	✓ Clean	`Nc1c(I)cc(C[C@@H](N)C(=O)O)cc1I`
ZINC4744407	0.571	461.0 Da LogP 2.03 TPSA 72.5	✓ Ro5	✓ Clean	`CCOC(=O)[C@H](N)Cc1cc(I)c(O)c(I)c1`
ZINC71782800	0.571	461.0 Da LogP 2.03 TPSA 72.5	✓ Ro5	✓ Clean	`CCOC(=O)[C@@H](N)Cc1cc(I)c(O)c(I)c1`
ZINC6239843	0.565	253.0 Da LogP -0.75 TPSA 91.7	✓ Ro5	✓ Clean	`Nc1[nH]c(=O)[nH]c(=O)c1I`
ZINC967243	0.565	206.0 Da LogP -0.59 TPSA 91.7	✓ Ro5	✓ Clean	`Nc1[nH]c(=O)[nH]c(=O)c1Br`
ZINC146315135	0.560	204.2 Da LogP 0.86 TPSA 94.8	✓ Ro5	✓ Clean	`CCCCC[C@@](O)(CC(=O)O)C(=O)O`
ZINC146315336	0.560	204.2 Da LogP 0.86 TPSA 94.8	✓ Ro5	✓ Clean	`CCCCC[C@](O)(CC(=O)O)C(=O)O`
ZINC1850353	0.556	206.1 Da LogP -0.86 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)CC(O)(CC(=O)O)CC(=O)O`
ZINC6092925	0.553	399.2 Da LogP 2.74 TPSA 92.8	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)cc1)C(=O)O`
ZINC57299	0.537	339.0 Da LogP 1.87 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O`
ZINC57300	0.537	339.0 Da LogP 1.87 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O`
ZINC1575	0.535	307.1 Da LogP 0.95 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O`
ZINC2015200	0.535	227.2 Da LogP 0.06 TPSA 113.0	✓ Ro5	✓ Clean	`COc1c(O)cc(C[C@H](N)C(=O)O)cc1O`
ZINC391106	0.535	307.1 Da LogP 0.95 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@H](Cc1ccc(O)c(I)c1)C(=O)O`
ZINC2387178	0.531	399.2 Da LogP 2.74 TPSA 92.8	✓ Ro5	✓ Clean	`N[C@@H](Cc1ccc(Oc2ccc(O)cc2)c(I)c1)C(=O)O`
ZINC59761244	0.525	417.0 Da LogP 1.85 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@@H](Cc1cc(I)cc(I)c1)C(=O)O`
ZINC19840845	0.524	225.2 Da LogP 0.66 TPSA 81.8	✓ Ro5	✓ Clean	`COc1cc(C[C@@H](N)C(=O)O)cc(OC)c1`
ZINC19840846	0.524	225.2 Da LogP 0.66 TPSA 81.8	✓ Ro5	✓ Clean	`COc1cc(C[C@H](N)C(=O)O)cc(OC)c1`
ZINC13398014	0.522	220.2 Da LogP -1.07 TPSA 110.1	✓ Ro5	✓ Clean	`COC(=O)CC(O)(CC(=O)OC)C(=O)O`
ZINC3861629	0.522	206.1 Da LogP -1.16 TPSA 121.1	✓ Ro5	✓ Clean	`COC(=O)C(O)(CC(=O)O)CC(=O)O`
ZINC16922794	0.521	431.1 Da LogP 3.66 TPSA 92.8	✓ Ro5	✓ Clean	`N[C@H](Cc1cc(Br)c(Oc2ccc(O)cc2)c(Br)c1)C(=O)O`
ZINC1711133	0.521	431.1 Da LogP 3.66 TPSA 92.8	✓ Ro5	✓ Clean	`N[C@@H](Cc1cc(Br)c(Oc2ccc(O)cc2)c(Br)c1)C(=O)O`
ZINC4758234	0.520	206.2 Da LogP -2.71 TPSA 151.9	✓ Ro5	✓ Clean	`Nc1[nH]c(=O)[nH]c(=O)c1S(N)(=O)=O`
ZINC79036542	0.512	211.2 Da LogP -0.49 TPSA 135.6	✓ Ro5	✓ Clean	`Nc1cc(C[C@H](N)C(=O)O)cc(N)c1O`
ZINC32625192	0.511	211.2 Da LogP 0.36 TPSA 92.8	✓ Ro5	✓ Clean	`COc1cc(O)cc(C[C@@H](N)C(=O)O)c1`
ZINC32625193	0.511	211.2 Da LogP 0.36 TPSA 92.8	✓ Ro5	✓ Clean	`COc1cc(O)cc(C[C@H](N)C(=O)O)c1`
ZINC100969993	0.500	359.5 Da LogP 2.70 TPSA 123.9	✓ Ro5	✓ Clean	`CCCCCCCCCCCCNC(=O)C[C@](O)(CC(=O)O)C(=O)O`
ZINC100969996	0.500	359.5 Da LogP 2.70 TPSA 123.9	✓ Ro5	✓ Clean	`CCCCCCCCCCCCNC(=O)C[C@@](O)(CC(=O)O)C(=O)O`
ZINC1746050	0.500	250.1 Da LogP 1.65 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@H](Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O`
ZINC19482080	0.500	255.3 Da LogP 0.67 TPSA 91.0	✓ Ro5	✓ Clean	`COc1cc(C[C@@H](N)C(=O)O)cc(OC)c1OC`
ZINC19482082	0.500	255.3 Da LogP 0.67 TPSA 91.0	✓ Ro5	✓ Clean	`COc1cc(C[C@H](N)C(=O)O)cc(OC)c1OC`
ZINC6091244	0.500	217.2 Da LogP 0.62 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1cc(F)c(O)c(F)c1)C(=O)O`
ZINC6091245	0.500	217.2 Da LogP 0.62 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@H](Cc1cc(F)c(O)c(F)c1)C(=O)O`
ZINC901726	0.500	250.1 Da LogP 1.65 TPSA 83.5	✓ Ro5	✓ Clean	`N[C@@H](Cc1cc(Cl)c(O)c(Cl)c1)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.