Protein profile

PA1501

hypothetical protein

Genome: NC_002516.2

Gene: PA1501 Structure source: AlphaFold UniProt Q9I3L1

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Amino acids 260

Annotations 2

Features 11

PDB binders 7

Druggability 0.498

Overview

Basic information about this protein and its source genome.

Accession: PA1501
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1501
Status: annotated
Amino acids: 260
Structure source: AlphaFold

GO:0008903 Catalysis of the reaction: 3-hydroxypyruvate = 2-hydroxy-3-oxopropanoate. GO:0046487 The chemical reactions and pathways involving glyoxylate, the anion of glyoxylic acid, HOC-COOH.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 43.145
Human E-value: 4.29e-57
Gut microbiome off-target: hit
Essential (DEG): Y
Localization: Cytoplasmic

Selected Druggability evidence

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 0.498

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

GO:0008903 Catalysis of the reaction: 3-hydroxypyruvate = 2-hydroxy-3-oxopropanoate.
GO:0046487 The chemical reactions and pathways involving glyoxylate, the anion of glyoxylic acid, HOC-COOH.

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
3	255	PANTHER	PTHR43489	ISOMERASE
1	258	FunFam	G3DSA:3.20.20.150:FF:000007	Hydroxypyruvate isomerase
1	258	Gene3D	G3DSA:3.20.20.150	-
21	256	Pfam	PF01261	Xylose isomerase-like TIM barrel
21	256	InterPro	IPR013022	Xylose isomerase-like, TIM barrel domain
2	255	NCBIfam	TIGR03234	hydroxypyruvate isomerase
2	255	InterPro	IPR017643	Hydroxypyruvate isomerase
1	260	PIRSF	PIRSF006241	HyI
1	260	InterPro	IPR026040	Hydroxypyruvate isomerase-like
1	256	SUPERFAMILY	SSF51658	Xylose isomerase-like
1	256	InterPro	IPR036237	Xylose isomerase-like 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 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold PA1501	AlphaFold	—	—	full sequence	—	Viewing

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				0.498
3				0.473
4				0.381

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.

57 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
1PG	5B7Y	Q9WYP7	252.3 Da LogP -0.31 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCO`
FUD	7CJ9	A0A172U6X0	180.2 Da LogP -3.38 TPSA 118.2	✓ Ro5	✓ Clean	`C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O`
FZU	7CJ7	A0A172U6X0	180.2 Da LogP -3.22 TPSA 110.4	✓ Ro5	✓ Clean	`C1[C@@H]([C@H]([C@H]([C@](O1)(CO)O)O)O)O`
LER	5H1W	Q9WYP7	120.1 Da LogP -2.10 TPSA 77.8	✓ Ro5	✓ Clean	`C([C@@H](C(=O)CO)O)O`
LTG	7CJ7	A0A172U6X0	180.2 Da LogP -3.38 TPSA 118.2	✓ Ro5	✓ Clean	`C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O`
PSJ	7CJ6	A0A172U6X0	180.2 Da LogP -3.38 TPSA 118.2	✓ Ro5	✓ Clean	`C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O`
SOL	7CJ7	A0A172U6X0	180.2 Da LogP -3.38 TPSA 118.2	✓ Ro5	✓ Clean	`C([C@@H]([C@H]([C@@H](C(=O)CO)O)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
ZINC1580161	1.000	208.3 Da LogP -0.33 TPSA 57.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCO`
ZINC16052118	1.000	340.4 Da LogP -0.28 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCO`
ZINC16052257	1.000	384.5 Da LogP -0.26 TPSA 94.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC34317654	1.000	472.6 Da LogP -0.23 TPSA 112.5	1 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC44076059	1.000	428.5 Da LogP -0.24 TPSA 103.3	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC5210101	1.000	252.3 Da LogP -0.31 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCO`
ZINC5997860	1.000	296.4 Da LogP -0.29 TPSA 75.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCO`
ZINC100071552	0.857	210.2 Da LogP -4.02 TPSA 138.5	1 viol.	✓ Clean	`O=C(CO)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO`
ZINC575419714	0.727	312.4 Da LogP 0.42 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCSCCOCCOCCO`
ZINC115163232	0.700	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCCO`
ZINC258837490	0.700	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCCO`
ZINC12501520	0.688	458.5 Da LogP -0.88 TPSA 123.5	1 viol.	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC1692489	0.688	222.3 Da LogP 0.33 TPSA 46.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOC`
ZINC3874716	0.688	414.5 Da LogP -0.90 TPSA 114.3	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC4283769	0.688	238.3 Da LogP -0.96 TPSA 77.4	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCO`
ZINC4521548	0.688	282.3 Da LogP -0.95 TPSA 86.6	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCO`
ZINC4530388	0.688	266.3 Da LogP 0.35 TPSA 55.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOC`
ZINC5178829	0.688	326.4 Da LogP -0.93 TPSA 95.8	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCO`
ZINC5178830	0.688	370.4 Da LogP -0.91 TPSA 105.1	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC5701172	0.688	310.4 Da LogP 0.36 TPSA 64.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOC`
ZINC5997861	0.688	398.5 Da LogP 0.40 TPSA 83.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOC`
ZINC575432150	0.667	344.4 Da LogP -0.89 TPSA 100.5	✓ Ro5	✓ Clean	`COCCOCCOCCS(=O)(=O)CCOCCOCCO`
ZINC1857524240	0.652	207.3 Da LogP -0.75 TPSA 60.0	✓ Ro5	✓ Clean	`COCCNCCOCCOCCO`
ZINC5650743	0.600	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCO`
ZINC6403917	0.600	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCCOCCO`
ZINC116078641	0.583	222.2 Da LogP -0.80 TPSA 74.2	✓ Ro5	✓ Clean	`COC(=O)COCCOCCOCCO`
ZINC1857790631	0.583	280.3 Da LogP -0.39 TPSA 83.5	✓ Ro5	✓ Clean	`COC(=O)CCOCCOCCOCCOCCO`
ZINC196151418	0.583	266.3 Da LogP -0.78 TPSA 83.5	✓ Ro5	✓ Clean	`COC(=O)COCCOCCOCCOCCO`
ZINC202958272	0.583	236.3 Da LogP -0.41 TPSA 74.2	✓ Ro5	✓ Clean	`COC(=O)CCOCCOCCOCCO`
ZINC34111591	0.583	207.3 Da LogP -1.06 TPSA 62.2	✓ Ro5	✓ Clean	`COCCOCCN(CCO)CCO`
ZINC642881862	0.583	324.4 Da LogP -0.38 TPSA 92.7	✓ Ro5	✓ Clean	`COC(=O)CCOCCOCCOCCOCCOCCO`
ZINC15218560	0.571	237.2 Da LogP -3.54 TPSA 139.5	1 viol.	✓ Clean	`O=C(O)CNC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O`
ZINC257390960	0.571	237.2 Da LogP -3.54 TPSA 139.5	1 viol.	✓ Clean	`O=C(O)CNC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O`
ZINC257390961	0.571	237.2 Da LogP -3.54 TPSA 139.5	1 viol.	✓ Clean	`O=C(O)CNC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O`
ZINC85765425	0.571	237.2 Da LogP -3.54 TPSA 139.5	1 viol.	✓ Clean	`O=C(O)CNC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O`
ZINC34764844	0.550	206.3 Da LogP 1.09 TPSA 36.9	✓ Ro5	✓ Clean	`CCCOCCOCCOCCOC`
ZINC1644613	0.545	206.3 Da LogP 0.83 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCOCCOCCOCCO`
ZINC150049482	0.543	221.3 Da LogP -2.21 TPSA 102.2	✓ Ro5	✓ Clean	`CCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O`
ZINC31771706	0.543	249.3 Da LogP -2.88 TPSA 102.6	✓ Ro5	✓ Clean	`O[C@H]1[C@H](O)[C@H](O)CO[C@@]1(O)CN1CCOCC1`
ZINC31771707	0.543	249.3 Da LogP -2.88 TPSA 102.6	✓ Ro5	✓ Clean	`O[C@H]1[C@H](O)[C@H](O)CO[C@]1(O)CN1CCOCC1`
ZINC4096594	0.543	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O`
ZINC4578915	0.543	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O`
ZINC4578916	0.543	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O`
ZINC4578917	0.543	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O`
ZINC5496244	0.543	249.3 Da LogP -2.88 TPSA 102.6	✓ Ro5	✓ Clean	`O[C@@H]1CO[C@](O)(CN2CCOCC2)[C@H](O)[C@@H]1O`
ZINC5496246	0.543	249.3 Da LogP -2.88 TPSA 102.6	✓ Ro5	✓ Clean	`O[C@@H]1CO[C@@](O)(CN2CCOCC2)[C@H](O)[C@@H]1O`
ZINC2383745924	0.542	398.5 Da LogP -0.01 TPSA 94.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCC(CO)COCCOCCOCCOC`
ZINC4726346	0.538	225.2 Da LogP -4.73 TPSA 164.5	1 viol.	✓ Clean	`NC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H…`
ZINC4726347	0.538	225.2 Da LogP -4.73 TPSA 164.5	1 viol.	✓ Clean	`NC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]…`
ZINC4726349	0.538	225.2 Da LogP -4.73 TPSA 164.5	1 viol.	✓ Clean	`NC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](…`

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.