Protein profile

PA2243

FAD-binding dehydrogenase

Genome: NC_002516.2

Gene: PA2243 pslM Structure source: AlphaFold UniProt Q9I1M6

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Amino acids 577

Annotations 3

Features 12

PDB binders 7

Druggability 0.791

Overview

Basic information about this protein and its source genome.

Accession: PA2243
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2243 pslM
Status: annotated
Amino acids: 577
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:0008202 The chemical reactions and pathways involving steroids, compounds with a 1,2,cyclopentanoperhydrophenanthrene nucleus.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: CytoplasmicMembrane

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 0.791

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 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:0008202 The chemical reactions and pathways involving steroids, compounds with a 1,2,cyclopentanoperhydrophenanthrene nucleus.

Sequence Features

Domain/signature hits from InterPro and related databases.

12 records

Show feature table

Start	End	DB	Term	Name
11	566	PANTHER	PTHR43400	FUMARATE REDUCTASE
453	475	MobiDBLite	mobidb-lite	consensus disorder prediction
10	386	Gene3D	G3DSA:3.50.50.60	-
10	386	InterPro	IPR036188	FAD/NAD(P)-binding domain superfamily
324	502	SUPERFAMILY	SSF56425	Succinate dehydrogenase/fumarate reductase flavoprotein, catalytic domain
324	502	InterPro	IPR027477	Succinate dehydrogenase/fumarate reductase flavoprotein, catalytic domain superfamily
14	549	Pfam	PF00890	FAD binding domain
14	549	InterPro	IPR003953	FAD-dependent oxidoreductase 2, FAD binding domain
7	567	SUPERFAMILY	SSF51905	FAD/NAD(P)-binding domain
7	567	InterPro	IPR036188	FAD/NAD(P)-binding domain superfamily
448	567	Gene3D	G3DSA:3.50.50.60	-
448	567	InterPro	IPR036188	FAD/NAD(P)-binding 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.

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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 PA2243	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
6				0.791

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
ANB	4C3Y	Q9RA02	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C…`
FUM	1E39	P0C278	116.1 Da LogP -0.29 TPSA 74.6	✓ Ro5	✓ Clean	`C(=C/C(=O)O)\C(=O)O`
MEZ	1Y0P	P0C278	130.1 Da LogP 0.10 TPSA 74.6	✓ Ro5	✓ Clean	`C/C(=C\C(=O)O)/C(=O)O`
MWQ	6T88	Q8CVD0	140.1 Da LogP 0.43 TPSA 66.0	✓ Ro5	✓ Clean	`c1c([nH]cn1)CCC(=O)O`
SIN	1D4D	P83223	118.1 Da LogP -0.06 TPSA 74.6	✓ Ro5	✓ Clean	`C(CC(=O)O)C(=O)O`
TEO	1P2H	P0C278	132.1 Da LogP -3.14 TPSA 103.7	✓ Ro5	✓ Clean	`C(=C(\O)/[O-])\[C@H](C(=O)[O-])O`
URO	6T87	Q8CVD0	138.1 Da LogP 0.51 TPSA 66.0	✓ Ro5	✓ Clean	`c1c(nc[nH]1)C=CC(=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
ZINC156796	1.000	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C…`
ZINC2100022	1.000	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C…`
ZINC242548813	1.000	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)C(=O…`
ZINC253502176	1.000	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@…`
ZINC3881421	1.000	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(…`
ZINC4023563	1.000	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[…`
ZINC4023564	1.000	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)C(=…`
ZINC4023565	1.000	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(…`
ZINC4534007	1.000	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)C(…`
ZINC58482279	1.000	284.4 Da LogP 3.86 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)C(=…`
ZINC253499744	0.791	282.4 Da LogP 4.85 TPSA 17.1	✓ Ro5	✓ Clean	`C=C1C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]2CC[C@]2(C)…`
ZINC253499746	0.791	282.4 Da LogP 4.85 TPSA 17.1	✓ Ro5	✓ Clean	`C=C1C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C…`
ZINC4024379	0.791	282.4 Da LogP 4.85 TPSA 17.1	✓ Ro5	✓ Clean	`C=C1C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CCC(=O)[C@…`
ZINC4024380	0.791	282.4 Da LogP 4.85 TPSA 17.1	✓ Ro5	✓ Clean	`C=C1C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C…`
ZINC253617340	0.767	286.4 Da LogP 2.59 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43O)[…`
ZINC253617341	0.767	286.4 Da LogP 2.59 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43O)[C…`
ZINC4292864	0.767	286.4 Da LogP 2.59 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43O)[C…`
ZINC4292866	0.767	286.4 Da LogP 2.59 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43O)[…`
ZINC2386384549	0.727	304.8 Da LogP 3.83 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43Cl)[…`
ZINC13513686	0.674	300.4 Da LogP 2.83 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@…`
ZINC1730510	0.674	298.4 Da LogP 3.04 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2…`
ZINC1857623168	0.674	298.4 Da LogP 3.04 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2…`
ZINC1857623169	0.674	298.4 Da LogP 3.04 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43…`
ZINC254071261	0.674	298.4 Da LogP 3.04 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@@]2(C…`
ZINC254071263	0.674	298.4 Da LogP 3.04 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43…`
ZINC254071265	0.674	298.4 Da LogP 3.04 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C…`
ZINC4533967	0.674	298.4 Da LogP 3.04 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@@]2(…`
ZINC4706361	0.674	300.4 Da LogP 2.83 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@…`
ZINC4897138	0.674	298.4 Da LogP 3.04 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43…`
ZINC31623358	0.673	328.4 Da LogP 3.16 TPSA 60.4	✓ Ro5	✓ Clean	`CC(=O)O[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)…`
ZINC118912522	0.667	300.4 Da LogP 4.05 TPSA 37.3	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[…`
ZINC3875469	0.667	300.4 Da LogP 4.05 TPSA 37.3	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[…`
ZINC4023051	0.667	300.4 Da LogP 4.05 TPSA 37.3	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](C)(O)[…`
ZINC4023052	0.667	300.4 Da LogP 4.05 TPSA 37.3	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C…`
ZINC4023053	0.667	300.4 Da LogP 4.05 TPSA 37.3	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[…`
ZINC105025894	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C…`
ZINC11592582	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]43C)[C@…`
ZINC3831512	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C…`
ZINC3831513	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@…`
ZINC3831514	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@@]12CC[C@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@…`
ZINC3831515	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@@…`
ZINC4081770	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[…`
ZINC4081771	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C…`
ZINC4081773	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[…`
ZINC4081774	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)OC…`
ZINC5529977	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C…`
ZINC5530039	0.660	300.4 Da LogP 3.59 TPSA 43.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@…`
ZINC253498975	0.652	286.4 Da LogP 3.66 TPSA 37.3	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@…`
ZINC4073878	0.652	286.4 Da LogP 3.66 TPSA 37.3	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@H](O)[C…`
ZINC4215042	0.652	286.4 Da LogP 3.66 TPSA 37.3	✓ Ro5	✓ Clean	`C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C…`

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.