Protein profile

PA1918

hypothetical protein

Genome: NC_002516.2

Gene: PA1918 Structure source: AlphaFold UniProt Q9I2I6

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Amino acids 466

Annotations 2

Features 8

PDB binders 1

Druggability 0.759

Overview

Basic information about this protein and its source genome.

Accession: PA1918
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1918
Status: annotated
Amino acids: 466
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.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
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 0.759

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MKLTLTPPLTPSHWMRSTDLADATSAPLVGTHSADVAIVGGGFVGLWTAITLKQLEPDARVLLLEQDVCGGGASGRNGGFVMSWWPKIGTLLGFCSEAQARFLGESAERAIQELGEFCARHDIDAHFQQKGWLWTATTAHHLDAWNDTLAACERLGVSPFERLDASEVARRTGSPVHLAGVFERSNATVQPALLVQGMRRVALALGVEIHERCGVSQIVPGQPAQLLSAGARVQAKAVVLATNAWSAALPRLSRLIVPVNSSIAVTEAIPQRLERIGWTGGEAITDSQLMVDYYRTTRDGRIAFGKGTGALSYGSRIGRVFDVDRESLALTEADFRRTYPSLGDIPLVDGWSGPIDRTYDSLPVFGRLHENIHYGIGWSGNGVGPSRLGGRILASLALGRDDPWSRCPLVERRCRSFPPEPLRYLGGSLVRNAVLRKERAELAGTAPSATDRFLARFAPAGLEDKS

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 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.

Sequence Features

Domain/signature hits from InterPro and related databases.

8 records

Show feature table

Start	End	DB	Term	Name
35	396	Pfam	PF01266	FAD dependent oxidoreductase
35	396	InterPro	IPR006076	FAD dependent oxidoreductase
34	413	SUPERFAMILY	SSF51905	FAD/NAD(P)-binding domain
34	413	InterPro	IPR036188	FAD/NAD(P)-binding domain superfamily
31	404	PANTHER	PTHR13847	SARCOSINE DEHYDROGENASE-RELATED
129	358	Gene3D	G3DSA:3.30.9.10	-
35	397	Gene3D	G3DSA:3.50.50.60	-
35	397	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.

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 PA1918	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				0.759
2				0.323

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.

51 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
FOA	2GAG	Q3ZDR0	112.1 Da LogP 0.98 TPSA 50.4	✓ Ro5	✓ Clean	`c1cc(oc1)C(=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
ZINC85394426	0.667	206.2 Da LogP 1.80 TPSA 80.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)c2ccco2)o1`
ZINC12374887	0.630	216.2 Da LogP 2.21 TPSA 67.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)c2ccco2)cc1`
ZINC1710770	0.615	200.2 Da LogP 2.35 TPSA 47.3	✓ Ro5	Alert	`O=C(C(=O)c1ccco1)c1ccccc1`
ZINC1613560	0.607	216.2 Da LogP 2.21 TPSA 67.5	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1ccco1`
ZINC100477623	0.600	204.2 Da LogP 2.33 TPSA 60.4	✓ Ro5	✓ Clean	`O=C(CC(=O)c1ccco1)c1ccco1`
ZINC6472822	0.600	218.2 Da LogP 2.72 TPSA 60.4	✓ Ro5	✓ Clean	`O=C(CCC(=O)c1ccco1)c1ccco1`
ZINC156403	0.593	274.3 Da LogP 1.47 TPSA 66.9	✓ Ro5	✓ Clean	`O=C(c1ccco1)N1CCN(C(=O)c2ccco2)CC1`
ZINC983943	0.577	360.3 Da LogP 4.16 TPSA 90.6	✓ Ro5	✓ Clean	`O=C(c1cc(C(=O)c2ccco2)cc(C(=O)c2ccco2)c1)c1ccco1`
ZINC106891773	0.571	204.2 Da LogP 2.65 TPSA 63.6	✓ Ro5	✓ Clean	`O=C(/C=C(\O)c1ccco1)c1ccco1`
ZINC49815930	0.567	216.2 Da LogP 2.21 TPSA 67.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(C(=O)c2ccco2)c1`
ZINC55201	0.556	298.2 Da LogP 3.31 TPSA 78.9	✓ Ro5	✓ Clean	`O=C(Oc1ccc(OC(=O)c2ccco2)cc1)c1ccco1`
ZINC134457	0.552	263.3 Da LogP 4.26 TPSA 33.5	✓ Ro5	✓ Clean	`O=C(c1ccco1)N(c1ccccc1)c1ccccc1`
ZINC3265500	0.552	310.4 Da LogP 3.40 TPSA 60.4	✓ Ro5	✓ Clean	`O=C(CSCCSCC(=O)c1ccco1)c1ccco1`
ZINC95097410	0.552	214.2 Da LogP 2.74 TPSA 47.3	✓ Ro5	✓ Clean	`O=C(CC(=O)c1ccco1)c1ccccc1`
ZINC20181843	0.548	252.2 Da LogP -0.35 TPSA 91.1	✓ Ro5	✓ Clean	`O=C(O)C(=O)N1CCN(C(=O)c2ccco2)CC1`
ZINC1668666	0.536	274.3 Da LogP 4.28 TPSA 60.4	✓ Ro5	✓ Clean	`O=C(CCCCCCC(=O)c1ccco1)c1ccco1`
ZINC1872872	0.536	217.1 Da LogP 2.64 TPSA 30.2	✓ Ro5	✓ Clean	`CC(C)(Br)C(=O)c1ccco1`
ZINC188199	0.536	296.3 Da LogP 3.38 TPSA 84.5	✓ Ro5	✓ Clean	`O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccco1`
ZINC22205244	0.536	298.2 Da LogP 3.31 TPSA 78.9	✓ Ro5	✓ Clean	`O=C(Oc1ccccc1OC(=O)c1ccco1)c1ccco1`
ZINC2274513	0.536	248.2 Da LogP 1.03 TPSA 84.5	✓ Ro5	✓ Clean	`O=C(NCCNC(=O)c1ccco1)c1ccco1`
ZINC825818	0.536	408.3 Da LogP 4.12 TPSA 118.3	✓ Ro5	✓ Clean	`O=C(Oc1cc(OC(=O)c2ccco2)cc(OC(=O)c2ccco2)c1)c1c…`
ZINC1710771	0.533	202.2 Da LogP 2.20 TPSA 50.4	✓ Ro5	✓ Clean	`O=C(c1ccco1)[C@@H](O)c1ccccc1`
ZINC193272	0.533	203.2 Da LogP 2.32 TPSA 53.7	✓ Ro5	✓ Clean	`O=C(c1ccco1)N(O)c1ccccc1`
ZINC198812	0.533	288.3 Da LogP 1.86 TPSA 66.9	✓ Ro5	✓ Clean	`O=C(c1ccco1)N1CCCN(C(=O)c2ccco2)CC1`
ZINC235419	0.533	291.4 Da LogP 4.12 TPSA 33.5	✓ Ro5	✓ Clean	`O=C(c1ccco1)N(Cc1ccccc1)Cc1ccccc1`
ZINC347488	0.533	201.2 Da LogP 2.21 TPSA 42.2	✓ Ro5	✓ Clean	`O=C(NCc1ccccc1)c1ccco1`
ZINC35368587	0.533	248.3 Da LogP 4.18 TPSA 30.2	✓ Ro5	✓ Clean	`O=C(c1ccc(-c2ccccc2)cc1)c1ccco1`
ZINC35962515	0.533	202.2 Da LogP 2.64 TPSA 39.4	✓ Ro5	✓ Clean	`O=C(OCc1ccccc1)c1ccco1`
ZINC5489024	0.533	202.2 Da LogP 2.20 TPSA 50.4	✓ Ro5	✓ Clean	`O=C(c1ccco1)[C@H](O)c1ccccc1`
ZINC6725695	0.533	207.3 Da LogP 2.69 TPSA 33.5	✓ Ro5	✓ Clean	`O=C(c1ccco1)N1CCCCCCC1`
ZINC123862	0.531	231.2 Da LogP 2.23 TPSA 79.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(NC(=O)c2ccco2)cc1`
ZINC185238	0.531	284.3 Da LogP 1.88 TPSA 53.8	✓ Ro5	✓ Clean	`O=C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1`
ZINC274512	0.517	296.3 Da LogP 3.38 TPSA 84.5	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1NC(=O)c1ccco1)c1ccco1`
ZINC95917808	0.517	205.2 Da LogP 1.93 TPSA 75.9	✓ Ro5	Alert	`O=C(/C(=N\O)c1ccco1)c1ccco1`
ZINC102767	0.516	201.2 Da LogP 2.56 TPSA 33.5	✓ Ro5	✓ Clean	`CN(C(=O)c1ccco1)c1ccccc1`
ZINC103713052	0.516	214.2 Da LogP 3.06 TPSA 50.4	✓ Ro5	✓ Clean	`O=C(/C=C(\O)c1ccco1)c1ccccc1`
ZINC129224	0.516	216.2 Da LogP 3.12 TPSA 39.4	✓ Ro5	✓ Clean	`Cc1cccc(C)c1OC(=O)c1ccco1`
ZINC20479531	0.516	222.2 Da LogP 2.35 TPSA 67.5	✓ Ro5	✓ Clean	`O=C(O)C1CCC(C(=O)c2ccco2)CC1`
ZINC5899483	0.516	275.3 Da LogP 3.96 TPSA 42.6	✓ Ro5	✓ Clean	`O=C(N=C(c1ccccc1)c1ccccc1)c1ccco1`
ZINC815570	0.516	222.2 Da LogP 0.58 TPSA 53.8	✓ Ro5	✓ Clean	`CC(=O)N1CCN(C(=O)c2ccco2)CC1`
ZINC127322	0.515	231.2 Da LogP 2.23 TPSA 79.5	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1C(=O)O)c1ccco1`
ZINC447008	0.515	340.3 Da LogP 3.08 TPSA 121.8	✓ Ro5	✓ Clean	`O=C(O)c1cc(NC(=O)c2ccco2)cc(NC(=O)c2ccco2)c1`
ZINC53011	0.515	275.2 Da LogP 1.93 TPSA 116.8	✓ Ro5	✓ Clean	`O=C(O)c1cc(NC(=O)c2ccco2)cc(C(=O)O)c1`
ZINC87621928	0.515	239.3 Da LogP 1.90 TPSA 79.5	✓ Ro5	✓ Clean	`CC(C)(NC(=O)c1ccco1)C(C)(C)C(=O)O`
ZINC100012850	0.500	220.2 Da LogP 1.93 TPSA 91.5	✓ Ro5	Alert	`O/N=C(C(=N/O)/c1ccco1)\c1ccco1`
ZINC100491999	0.500	206.1 Da LogP 2.47 TPSA 50.4	✓ Ro5	✓ Clean	`O=C(/C=C(\O)C(F)(F)F)c1ccco1`
ZINC234851	0.500	223.2 Da LogP 0.12 TPSA 79.8	✓ Ro5	✓ Clean	`NC(=O)N1CCN(C(=O)c2ccco2)CC1`
ZINC254624778	0.500	220.2 Da LogP 1.93 TPSA 91.5	✓ Ro5	Alert	`ON=C(C(=NO)c1ccco1)c1ccco1`
ZINC4749791	0.500	245.2 Da LogP 1.91 TPSA 79.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(CNC(=O)c2ccco2)cc1`
ZINC873474	0.500	223.2 Da LogP 1.22 TPSA 70.8	✓ Ro5	✓ Clean	`O=C(O)C1CCN(C(=O)c2ccco2)CC1`

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.