Protein profile

PA1470

short-chain dehydrogenase

Genome: NC_002516.2

Gene: PA1470 Structure source: AlphaFold UniProt Q9I3P2

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Amino acids 245

Annotations 1

Features 23

PDB binders 11

Druggability 0.768

Overview

Basic information about this protein and its source genome.

Accession: PA1470
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1470
Status: annotated
Amino acids: 245
Structure source: AlphaFold

GO:0016614 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group act as a hydrogen or electron donor and reduces a hydrogen or electron acceptor.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 43.939
Human E-value: 4.67e-06
Gut microbiome off-target: hit
Essential (DEG): Y
Localization: Unknown

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 0.768

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

GO:0016614 Catalysis of an oxidation-reduction (redox) reaction in which a CH-OH group act as a hydrogen or electron donor and reduces a hydrogen or electron acceptor.

Sequence Features

Domain/signature hits from InterPro and related databases.

23 records

Show feature table

Start	End	DB	Term	Name
5	244	Gene3D	G3DSA:3.40.50.720	-
7	244	SUPERFAMILY	SSF51735	NAD(P)-binding Rossmann-fold domains
7	244	InterPro	IPR036291	NAD(P)-binding domain superfamily
133	141	PRINTS	PR00080	Short-chain dehydrogenase/reductase (SDR) superfamily signature
133	141	InterPro	IPR002347	Short-chain dehydrogenase/reductase SDR
153	172	PRINTS	PR00080	Short-chain dehydrogenase/reductase (SDR) superfamily signature
153	172	InterPro	IPR002347	Short-chain dehydrogenase/reductase SDR
82	93	PRINTS	PR00080	Short-chain dehydrogenase/reductase (SDR) superfamily signature
82	93	InterPro	IPR002347	Short-chain dehydrogenase/reductase SDR
6	184	SMART	SM00822	This enzymatic domain is part of bacterial polyketide synthases and catalyses the first step in the reductive modification of the beta-carbonyl centres in the growing polyketide chain. It uses NADPH to reduce the keto group to a hydroxy group.
208	228	PRINTS	PR00081	Glucose/ribitol dehydrogenase family signature
208	228	InterPro	IPR002347	Short-chain dehydrogenase/reductase SDR
127	143	PRINTS	PR00081	Glucose/ribitol dehydrogenase family signature
127	143	InterPro	IPR002347	Short-chain dehydrogenase/reductase SDR
7	24	PRINTS	PR00081	Glucose/ribitol dehydrogenase family signature
7	24	InterPro	IPR002347	Short-chain dehydrogenase/reductase SDR
174	191	PRINTS	PR00081	Glucose/ribitol dehydrogenase family signature
174	191	InterPro	IPR002347	Short-chain dehydrogenase/reductase SDR
153	172	PRINTS	PR00081	Glucose/ribitol dehydrogenase family signature
82	93	PRINTS	PR00081	Glucose/ribitol dehydrogenase family signature
12	244	Pfam	PF13561	Enoyl-(Acyl carrier protein) reductase
7	243	PANTHER	PTHR48107	NADPH-DEPENDENT ALDEHYDE REDUCTASE-LIKE PROTEIN, CHLOROPLASTIC-RELATED
5	245	FunFam	G3DSA:3.40.50.720:FF:000084	Short-chain dehydrogenase reductase

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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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 PA1470	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				0.768
4				0.452

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
4PL	3RWB	Q988B7	165.1 Da LogP 0.77 TPSA 59.4	✓ Ro5	✓ Clean	`Cc1c(c2c(cn1)COC2=O)O`
BEA	1YBV	Q12634	190.3 Da LogP 1.67 TPSA 31.4	✓ Ro5	✓ Clean	`Cc1cccc2c1n3cn[nH+]c3s2`
CUE	3QWI	O93874	268.2 Da LogP 3.10 TPSA 83.8	✓ Ro5	✓ Clean	`c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O`
GEN	4FJ1	O93874	270.2 Da LogP 2.58 TPSA 90.9	✓ Ro5	✓ Clean	`c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O`
HHF	4FJ0	O93874	254.2 Da LogP 2.87 TPSA 70.7	✓ Ro5	✓ Clean	`c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O`
KMP	3QWH	O93874	286.2 Da LogP 2.28 TPSA 111.1	✓ Ro5	✓ Clean	`c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O`
NID	1DOH	Q12634	175.1 Da LogP 1.80 TPSA 60.2	✓ Ro5	✓ Clean	`c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O`
PHH	1G0N	Q12634	271.9 Da LogP 3.97 TPSA 26.3	✓ Ro5	✓ Clean	`C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1`
PYQ	1G0O	Q12634	173.2 Da LogP 1.52 TPSA 20.3	✓ Ro5	✓ Clean	`c1cc2c3c(c1)CCN3C(=O)CC2`
QSO	4FJ2	O93874	284.3 Da LogP 2.88 TPSA 79.9	✓ Ro5	✓ Clean	`COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O`
RM4	7DO7	C1DMX5	164.2 Da LogP -2.19 TPSA 90.2	✓ Ro5	✓ Clean	`C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL361197	O93874	6.16	238.3 Da LogP 3.44 TPSA 26.3	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccccc1)OCc1ccccc1`

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
ZINC1219	1.000	268.2 Da LogP 3.10 TPSA 83.8	✓ Ro5	✓ Clean	`O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12`
ZINC12358883	1.000	238.3 Da LogP 3.44 TPSA 26.3	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccccc1)OCc1ccccc1`
ZINC1857742182	1.000	238.3 Da LogP 3.44 TPSA 26.3	✓ Ro5	✓ Clean	`O=C(C=Cc1ccccc1)OCc1ccccc1`
ZINC18825330	1.000	270.2 Da LogP 2.58 TPSA 90.9	✓ Ro5	✓ Clean	`O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12`
ZINC18847037	1.000	284.3 Da LogP 2.88 TPSA 79.9	✓ Ro5	✓ Clean	`COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1`
ZINC2012697	1.000	271.9 Da LogP 3.97 TPSA 26.3	✓ Ro5	✓ Clean	`O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21`
ZINC3869768	1.000	286.2 Da LogP 2.28 TPSA 111.1	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12`
ZINC4803379	1.000	238.3 Da LogP 3.44 TPSA 26.3	✓ Ro5	✓ Clean	`O=C(/C=C\c1ccccc1)OCc1ccccc1`
ZINC6116596	1.000	254.2 Da LogP 2.87 TPSA 70.7	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2ccccc2)oc2cc(O)ccc12`
ZINC6018481	0.875	298.3 Da LogP 3.18 TPSA 68.9	✓ Ro5	✓ Clean	`COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1`
ZINC14504998	0.844	254.3 Da LogP 3.15 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(O)cc1)OCc1ccccc1`
ZINC39203780	0.844	268.2 Da LogP 3.10 TPSA 83.8	✓ Ro5	✓ Clean	`O=c1oc2cc(O)ccc2c2oc3ccc(O)cc3c12`
ZINC6093351	0.824	270.2 Da LogP 2.58 TPSA 90.9	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12`
ZINC304562	0.811	333.1 Da LogP 3.63 TPSA 70.7	✓ Ro5	✓ Clean	`O=c1c(-c2ccc(Br)cc2)coc2cc(O)cc(O)c12`
ZINC5731170	0.811	288.7 Da LogP 3.52 TPSA 70.7	✓ Ro5	✓ Clean	`O=c1c(-c2ccc(Cl)cc2)coc2cc(O)cc(O)c12`
ZINC5997152	0.811	272.2 Da LogP 3.01 TPSA 70.7	✓ Ro5	✓ Clean	`O=c1c(-c2ccc(F)cc2)coc2cc(O)cc(O)c12`
ZINC120273	0.806	270.2 Da LogP 2.58 TPSA 90.9	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12`
ZINC2149675	0.806	254.2 Da LogP 2.87 TPSA 70.7	✓ Ro5	✓ Clean	`O=c1c(-c2ccccc2)coc2cc(O)cc(O)c12`
ZINC57845	0.806	270.2 Da LogP 2.58 TPSA 90.9	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2cccc(O)c2)oc2cc(O)ccc12`
ZINC2888441	0.794	272.7 Da LogP 4.10 TPSA 26.3	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccccc1)OCc1ccc(Cl)cc1`
ZINC3103992	0.794	272.7 Da LogP 4.10 TPSA 26.3	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(Cl)cc1)OCc1ccccc1`
ZINC3228605	0.794	256.3 Da LogP 3.58 TPSA 26.3	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(F)cc1)OCc1ccccc1`
ZINC11865148	0.791	282.3 Da LogP 3.48 TPSA 59.7	✓ Ro5	✓ Clean	`COc1ccc(-c2coc3cc(O)cc(C)c3c2=O)cc1`
ZINC14811807	0.791	298.3 Da LogP 3.18 TPSA 68.9	✓ Ro5	✓ Clean	`COc1ccc(-c2coc3cc(O)cc(OC)c3c2=O)cc1`
ZINC18847044	0.786	284.3 Da LogP 2.88 TPSA 79.9	✓ Ro5	✓ Clean	`COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1`
ZINC3869685	0.784	302.2 Da LogP 1.99 TPSA 131.4	✓ Ro5	Alert	`O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12`
ZINC6092209	0.784	286.2 Da LogP 2.28 TPSA 111.1	✓ Ro5	Alert	`O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12`
ZINC57648	0.778	254.2 Da LogP 2.87 TPSA 70.7	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2ccccc2)oc2ccc(O)cc12`
ZINC103633384	0.759	296.3 Da LogP 3.03 TPSA 52.6	✓ Ro5	✓ Clean	`O=C(/C=C\C(=O)OCc1ccccc1)OCc1ccccc1`
ZINC4411156	0.759	296.3 Da LogP 3.03 TPSA 52.6	✓ Ro5	✓ Clean	`O=C(/C=C/C(=O)OCc1ccccc1)OCc1ccccc1`
ZINC2556384	0.757	282.3 Da LogP 3.41 TPSA 72.8	✓ Ro5	✓ Clean	`COc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21`
ZINC1633891	0.750	268.3 Da LogP 3.45 TPSA 35.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)OCc2ccccc2)cc1`
ZINC3874317	0.750	318.2 Da LogP 1.69 TPSA 151.6	1 viol.	Alert	`O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12`
ZINC3881558	0.750	302.2 Da LogP 1.99 TPSA 131.4	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12`
ZINC4537958	0.750	268.3 Da LogP 3.45 TPSA 35.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C\C(=O)OCc2ccccc2)cc1`
ZINC584641356	0.750	338.2 Da LogP 3.60 TPSA 90.9	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2ccc(C(F)(F)F)cc2)oc2cc(O)cc(O)c12`
ZINC6411540	0.750	300.3 Da LogP 2.59 TPSA 100.1	✓ Ro5	✓ Clean	`COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1`
ZINC6525249	0.750	286.2 Da LogP 2.28 TPSA 111.1	✓ Ro5	✓ Clean	`O=c1c(-c2ccc(O)cc2O)coc2cc(O)cc(O)c12`
ZINC1678812	0.737	288.7 Da LogP 3.52 TPSA 70.7	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2ccc(Cl)cc2)oc2cc(O)ccc12`
ZINC6068882	0.737	252.3 Da LogP 3.47 TPSA 50.4	✓ Ro5	✓ Clean	`Cc1c(-c2ccccc2)oc2cc(O)ccc2c1=O`
ZINC2561259	0.733	300.3 Da LogP 2.59 TPSA 100.1	✓ Ro5	✓ Clean	`COc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O`
ZINC6484607	0.733	300.3 Da LogP 2.59 TPSA 100.1	✓ Ro5	✓ Clean	`COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1O`
ZINC6556076	0.733	314.3 Da LogP 2.89 TPSA 89.1	✓ Ro5	✓ Clean	`COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1OC`
ZINC4098600	0.730	302.2 Da LogP 1.99 TPSA 131.4	✓ Ro5	Alert	`O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12`
ZINC6536273	0.730	302.2 Da LogP 1.99 TPSA 131.4	✓ Ro5	Alert	`O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12`
ZINC5998754	0.725	300.3 Da LogP 2.59 TPSA 100.1	✓ Ro5	✓ Clean	`COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1`
ZINC57752	0.722	270.2 Da LogP 2.58 TPSA 90.9	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2ccc(O)cc2)oc2cccc(O)c12`
ZINC57675	0.714	238.2 Da LogP 3.17 TPSA 50.4	✓ Ro5	✓ Clean	`O=c1c(O)c(-c2ccccc2)oc2ccccc12`
ZINC59199123	0.714	342.3 Da LogP 2.64 TPSA 106.2	✓ Ro5	✓ Clean	`COc1ccc(-c2coc3cc(OCC(=O)O)cc(O)c3c2=O)cc1`
ZINC2558159	0.711	300.3 Da LogP 2.59 TPSA 100.1	✓ Ro5	Alert	`COc1cc(O)c2c(=O)c(-c3ccc(O)c(O)c3)coc2c1`

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.