Protein profile

PA3567

oxidoreductase

Genome: NC_002516.2

Gene: PA3567 Structure source: AlphaFold UniProt Q9HY50

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Amino acids 337

Annotations 4

Features 18

PDB binders 10

Druggability 0.725

Overview

Basic information about this protein and its source genome.

Accession: PA3567
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA3567
Status: annotated
Amino acids: 337
Structure source: AlphaFold

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced. GO:0003723 Binding to an RNA molecule or a portion thereof. GO:0008270 Binding to a zinc ion (Zn).

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 41.892
Human E-value: 1.83e-08
Gut microbiome off-target: hit
Essential (DEG): N
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 0.725

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MKAVGYYQSLPIDHPDALLDLELPEPTPGPRDLLVEVRAISVNPVDTKVRQRAQPEAGQAKVLGWDAAGVVRAVGSEVSLFRPGDRVWYAGDITRPGSNSELHRVDERIAGHLPKSLDFAQAAALPLTTITAWELLFERLQIAEGKADQGQSLLVVGAAGGVGSILVQLARQLTGLNVIGTASRAETQAWVRDLGAHHVIDHGKPLAEELKRIGVAEVSHVASLTHTDQHLEQIVAALRPQGRLALIDDPASLDIGKLKQKSLSLHWEFMYTRSMFQTDDMIEQHRLLERVAGLIDEGVLKTTVGEHFGRIDAANLRRAHALLESGRAKGKIVLEGF

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
GO:0003723 Binding to an RNA molecule or a portion thereof.
GO:0008270 Binding to a zinc ion (Zn).

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records

Show feature table

Start	End	DB	Term	Name
150	171	ProSitePatterns	PS01162	Quinone oxidoreductase / zeta-crystallin signature.
150	171	InterPro	IPR002364	Quinone oxidoreductase/zeta-crystallin, conserved site
194	334	Pfam	PF13602	Zinc-binding dehydrogenase
1	335	CDD	cd08252	AL_MDR
1	335	InterPro	IPR014182	Alcohol dehydrogenase, zinc-binding type 1
2	337	NCBIfam	TIGR02817	zinc-binding alcohol dehydrogenase family protein
2	337	InterPro	IPR014182	Alcohol dehydrogenase, zinc-binding type 1
117	287	SUPERFAMILY	SSF51735	NAD(P)-binding Rossmann-fold domains
117	287	InterPro	IPR036291	NAD(P)-binding domain superfamily
25	334	Gene3D	G3DSA:3.90.180.10	-
1	335	PANTHER	PTHR44154	QUINONE OXIDOREDUCTASE
128	276	Gene3D	G3DSA:3.40.50.720	-
31	89	Pfam	PF08240	Alcohol dehydrogenase GroES-like domain
31	89	InterPro	IPR013154	Alcohol dehydrogenase-like, N-terminal
16	334	SMART	SM00829	PKS_ER_names_mod
16	334	InterPro	IPR020843	Polyketide synthase, enoylreductase domain
9	137	SUPERFAMILY	SSF50129	GroES-like
9	137	InterPro	IPR011032	GroES-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.

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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 PA3567	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				0.725

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.

60 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
1XX	4IDC	O23939	128.1 Da LogP 0.76 TPSA 46.5	✓ Ro5	✓ Clean	`C[C@@H]1C(=O)C(=C(O1)C)O`
2XX	4IDD	O23939	142.2 Da LogP 1.15 TPSA 46.5	✓ Ro5	✓ Clean	`CC[C@@H]1C(=O)C(=C(O1)C)O`
3XX	4IDE	O23939	140.1 Da LogP 1.28 TPSA 46.5	✓ Ro5	✓ Clean	`C/C=C/1\C(=O)C(=C(O1)C)O`
4XX	4IDF	O23939	114.1 Da LogP 0.38 TPSA 46.5	✓ Ro5	✓ Clean	`CC1=C(C(=O)CO1)O`
8ID	4W6Z	P00330	790.3 Da LogP -2.41 TPSA 318.3	3 viol.	✓ Clean	`c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P…`
CO7	3B6Z	Q9Y7D0	835.6 Da LogP -0.76 TPSA 363.6	3 viol.	✓ Clean	`C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@…`
DIF	2WEK	Q8N4Q0	296.2 Da LogP 4.36 TPSA 49.3	✓ Ro5	✓ Clean	`c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl`
ETF	4W6Z	P00330	100.0 Da LogP 0.54 TPSA 20.2	✓ Ro5	✓ Clean	`C(C(F)(F)F)O`
KZH	5A3J	Q9SV68	292.4 Da LogP 4.84 TPSA 54.4	✓ Ro5	✓ Clean	`CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O`
X1H	2X1H	Q8N4Q0	376.4 Da LogP 5.22 TPSA 66.8	1 viol.	✓ Clean	`COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)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
ZINC1281	1.000	296.2 Da LogP 4.36 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl`
ZINC2506700	0.800	340.6 Da LogP 4.47 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Br`
ZINC26395789	0.800	279.7 Da LogP 3.85 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)Cc1ccccc1Nc1c(F)cccc1Cl`
ZINC33998501	0.795	362.4 Da LogP 4.92 TPSA 77.8	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12`
ZINC2383046	0.743	312.2 Da LogP 4.07 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl`
ZINC3805798	0.737	354.2 Da LogP 3.91 TPSA 75.6	✓ Ro5	✓ Clean	`O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl`
ZINC13558626	0.722	310.2 Da LogP 4.45 TPSA 38.3	✓ Ro5	✓ Clean	`COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl`
ZINC39330321	0.703	323.2 Da LogP 4.37 TPSA 32.3	✓ Ro5	✓ Clean	`CN(C)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl`
ZINC6095281	0.703	312.2 Da LogP 4.07 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)Cc1ccccc1Nc1c(Cl)ccc(O)c1Cl`
ZINC44699349	0.700	412.2 Da LogP 3.45 TPSA 101.9	✓ Ro5	✓ Clean	`O=C(O)COC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl`
ZINC44699432	0.700	470.3 Da LogP 2.99 TPSA 128.2	✓ Ro5	✓ Clean	`O=C(O)COC(=O)COC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)ccc…`
ZINC2506699	0.697	268.1 Da LogP 4.23 TPSA 32.3	✓ Ro5	✓ Clean	`OCc1ccccc1Nc1c(Cl)cccc1Cl`
ZINC22060327	0.694	312.2 Da LogP 4.07 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl`
ZINC44699442	0.667	324.2 Da LogP 4.84 TPSA 38.3	✓ Ro5	✓ Clean	`CCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl`
ZINC34537110	0.660	447.5 Da LogP 4.73 TPSA 95.9	✓ Ro5	✓ Clean	`CC(=O)NCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)c…`
ZINC2060993406	0.651	398.2 Da LogP 3.92 TPSA 84.9	✓ Ro5	✓ Clean	`O=C(O)COCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl`
ZINC1346	0.649	302.2 Da LogP 4.43 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)Cc1cscc1Nc1c(Cl)cccc1Cl`
ZINC2060993414	0.643	368.2 Da LogP 4.30 TPSA 75.6	✓ Ro5	✓ Clean	`C[C@H](OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C(=O)O`
ZINC71404741	0.641	292.4 Da LogP 4.84 TPSA 54.4	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C=C\C(=O)CCCCCCCC(=O)O`
ZINC1775964273	0.639	224.3 Da LogP 3.11 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)/C=C/C=C/CCCCCCC(=O)O`
ZINC2325860610	0.634	395.3 Da LogP 3.28 TPSA 81.6	✓ Ro5	✓ Clean	`O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N[C@H]1C[C@H](O)[C…`
ZINC38600110	0.634	368.2 Da LogP 4.00 TPSA 64.6	✓ Ro5	✓ Clean	`COC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl`
ZINC2569322	0.629	282.1 Da LogP 4.44 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1c(Cl)cccc1Cl`
ZINC403523	0.606	227.3 Da LogP 3.06 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)Cc1ccccc1Nc1ccccc1`
ZINC2297732054	0.595	294.4 Da LogP 4.63 TPSA 57.5	✓ Ro5	✓ Clean	`CCC=CC[C@H](O)C=CC=CCCCCCCCC(=O)O`
ZINC2333257289	0.595	294.4 Da LogP 4.63 TPSA 57.5	✓ Ro5	✓ Clean	`CCC=CC[C@@H](O)C=CC=CCCCCCCCC(=O)O`
ZINC34961834	0.595	294.4 Da LogP 4.63 TPSA 57.5	✓ Ro5	✓ Clean	`CC/C=C\C[C@H](O)/C=C/C=C\CCCCCCCC(=O)O`
ZINC83314730	0.595	266.4 Da LogP 3.85 TPSA 57.5	✓ Ro5	✓ Clean	`CC/C=C\C[C@H](O)/C=C/C=C\CCCCCC(=O)O`
ZINC33822120	0.595	250.4 Da LogP 4.88 TPSA 37.3	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O`
ZINC2060993409	0.587	440.3 Da LogP 4.23 TPSA 101.9	✓ Ro5	✓ Clean	`C[C@H](OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C(=O)O[C@…`
ZINC2060993410	0.587	440.3 Da LogP 4.23 TPSA 101.9	✓ Ro5	✓ Clean	`C[C@H](OC(=O)[C@@H](C)OC(=O)Cc1ccccc1Nc1c(Cl)cc…`
ZINC2060993411	0.587	440.3 Da LogP 4.23 TPSA 101.9	✓ Ro5	✓ Clean	`C[C@H](OC(=O)[C@H](C)OC(=O)Cc1ccccc1Nc1c(Cl)ccc…`
ZINC2060993412	0.587	440.3 Da LogP 4.23 TPSA 101.9	✓ Ro5	✓ Clean	`C[C@@H](OC(=O)[C@@H](C)OC(=O)Cc1ccccc1Nc1c(Cl)c…`
ZINC65742970	0.575	310.4 Da LogP 4.04 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCCC(=O)/C=C/C=C\CCCCCCCCCO`
ZINC584906798	0.565	393.3 Da LogP 4.92 TPSA 41.6	✓ Ro5	✓ Clean	`O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCN1CCCC1`
ZINC2386141	0.563	205.0 Da LogP 2.62 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)Cc1cccc(Cl)c1Cl`
ZINC117698057	0.558	310.4 Da LogP 4.03 TPSA 74.6	✓ Ro5	✓ Clean	`CC/C=C\C[C@H](O)C(=O)C/C=C\CCCCCCCC(=O)O`
ZINC43898792	0.553	334.5 Da LogP 4.37 TPSA 74.6	✓ Ro5	✓ Clean	`CCCCC/C=C\CC(=O)/C=C\C=C/C=C/[C@@H](O)CCCC(=O)O`
ZINC4632131	0.553	334.5 Da LogP 4.37 TPSA 74.6	✓ Ro5	✓ Clean	`CCCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O`
ZINC256051021	0.550	297.1 Da LogP 3.76 TPSA 62.2	✓ Ro5	✓ Clean	`O=C(O)Cc1cccc(Nc2c(Cl)cccc2Cl)n1`
ZINC396292	0.550	228.2 Da LogP 2.63 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(C(=O)c2ccc(O)cc2)cc1`
ZINC12503278	0.548	335.2 Da LogP -2.20 TPSA 163.4	✓ Ro5	✓ Clean	`NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H…`
ZINC1532667	0.548	335.2 Da LogP -2.20 TPSA 163.4	✓ Ro5	✓ Clean	`NC(=O)c1ccc[n+]([C@H]2O[C@@H](COP(=O)(O)O)[C@H]…`
ZINC2545161	0.548	335.2 Da LogP -2.20 TPSA 163.4	✓ Ro5	✓ Clean	`NC(=O)c1ccc[n+]([C@@H]2O[C@@H](COP(=O)(O)O)[C@H…`
ZINC3870109	0.548	335.2 Da LogP -2.20 TPSA 163.4	✓ Ro5	✓ Clean	`NC(=O)c1ccc[n+]([C@@H]2O[C@@H](COP(=O)(O)O)[C@@…`
ZINC40465856	0.548	335.2 Da LogP -2.20 TPSA 163.4	✓ Ro5	✓ Clean	`NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@H]…`
ZINC40762833	0.548	335.2 Da LogP -2.20 TPSA 163.4	✓ Ro5	✓ Clean	`NC(=O)c1ccc[n+]([C@H]2O[C@H](COP(=O)(O)O)[C@@H]…`
ZINC4228273	0.548	335.2 Da LogP -2.20 TPSA 163.4	✓ Ro5	✓ Clean	`NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H…`
ZINC77311638	0.548	335.2 Da LogP -2.20 TPSA 163.4	✓ Ro5	✓ Clean	`NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@H]…`
ZINC7563	0.545	293.7 Da LogP 4.16 TPSA 49.3	✓ Ro5	✓ Clean	`Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1`

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.