Protein profile

PA1215

hypothetical protein

Genome: NC_002516.2

Gene: PA1215 Structure source: AlphaFold UniProt Q9I4C3

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Amino acids 428

Annotations 0

Features 11

PDB binders 10

Druggability 0.933

Overview

Basic information about this protein and its source genome.

Accession: PA1215
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1215
Status: annotated
Amino acids: 428
Structure source: AlphaFold

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 30.065
Human E-value: 2.07e-07
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 0.933

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

No GO or EC annotations are currently loaded for this protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
1	324	Gene3D	G3DSA:3.40.50.12780	-
1	324	InterPro	IPR042099	ANL, N-terminal domain
2	425	PANTHER	PTHR45398	-
2	424	SUPERFAMILY	SSF56801	Acetyl-CoA synthetase-like
2	330	Pfam	PF00501	AMP-binding enzyme
2	330	InterPro	IPR000873	AMP-dependent synthetase/ligase domain
325	427	Gene3D	G3DSA:3.30.300.30	-
325	427	InterPro	IPR045851	AMP-binding enzyme, C-terminal domain superfamily
83	94	ProSitePatterns	PS00455	Putative AMP-binding domain signature.
83	94	InterPro	IPR020845	AMP-binding, conserved site
79	415	CDD	cd04433	AFD_class_I

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 PA1215	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
9				0.933
1				0.267

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
8PZ	5N82	P09095	493.5 Da LogP -1.50 TPSA 217.8	1 viol.	✓ Clean	`c1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H](…`
8Q2	5N81	P09095	547.6 Da LogP -1.49 TPSA 227.0	2 viol.	✓ Clean	`C#CCOc1ccc(cc1)C(CC(=O)NS(=O)(=O)OCC2C(C(C(O2)n…`
BTB	5N81	P09095	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`C(CO)N(CCO)C(CO)(CO)CO`
EQ2	6H1B	R4R1U5	254.2 Da LogP 2.62 TPSA 83.1	✓ Ro5	✓ Clean	`CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2`
MCA	3NYQ	Q9L0A2	867.6 Da LogP -1.61 TPSA 400.9	3 viol.	✓ Clean	`C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)…`
MLC	3NYR	Q9L0A2	853.6 Da LogP -1.86 TPSA 400.9	3 viol.	✓ Clean	`CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]…`
OLU	2D1R	P13129	250.3 Da LogP 2.02 TPSA 62.6	✓ Ro5	✓ Clean	`c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3`
OXD	5IE3	Q9SMT7	90.0 Da LogP -0.84 TPSA 74.6	✓ Ro5	✓ Clean	`C(=O)(C(=O)O)O`
SLU	2D1S	P13129	606.6 Da LogP 0.16 TPSA 237.8	2 viol.	✓ Clean	`c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@…`
SRT	5IE0	Q9SMT7	150.1 Da LogP -2.12 TPSA 115.1	✓ Ro5	✓ Clean	`[C@H]([C@H](C(=O)O)O)(C(=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
ZINC15216221	1.000	250.3 Da LogP 2.02 TPSA 62.5	✓ Ro5	✓ Clean	`O=C1CSC(c2nc3ccc(O)cc3s2)=N1`
ZINC1615342	1.000	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`OCCN(CCO)C(CO)(CO)CO`
ZINC19204246	0.707	226.2 Da LogP 2.72 TPSA 66.0	✓ Ro5	✓ Clean	`Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12`
ZINC12359024	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC13533920	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC1532740	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC1549593	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC2013424	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC3581021	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC3860635	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O`
ZINC5783661	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC6072527	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC20611945	0.651	288.3 Da LogP 4.08 TPSA 66.0	✓ Ro5	✓ Clean	`O=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1`
ZINC1083103439	0.630	302.3 Da LogP 4.39 TPSA 66.0	✓ Ro5	✓ Clean	`Cc1ccc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cc1`
ZINC1083103512	0.630	306.3 Da LogP 4.22 TPSA 66.0	✓ Ro5	✓ Clean	`O=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1`
ZINC34300802	0.622	284.3 Da LogP 2.29 TPSA 81.3	✓ Ro5	✓ Clean	`COC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)OC)n1`
ZINC1083103603	0.592	318.3 Da LogP 4.09 TPSA 75.2	✓ Ro5	✓ Clean	`COc1ccc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cc1`
ZINC1560405156	0.588	208.1 Da LogP -1.79 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)/C(O)=C(\O)[C@H](O)[C@H](O)C(=O)O`
ZINC1560405157	0.588	208.1 Da LogP -1.79 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)/C(O)=C(/O)[C@H](O)[C@H](O)C(=O)O`
ZINC13486434	0.583	272.3 Da LogP 1.44 TPSA 106.4	✓ Ro5	✓ Clean	`O=C(O)c1cc2c([nH]c3ccccc32)c([C@@H](O)CO)n1`
ZINC13305154	0.581	210.2 Da LogP 2.92 TPSA 45.8	✓ Ro5	✓ Clean	`CC(=O)c1nccc2c1[nH]c1ccccc12`
ZINC575410815	0.580	292.3 Da LogP 2.81 TPSA 83.8	✓ Ro5	✓ Clean	`Cn1ccc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)n1`
ZINC169541314	0.571	283.3 Da LogP 1.99 TPSA 98.1	✓ Ro5	✓ Clean	`CCOC(=O)c1cc2c([nH]c3ccccc32)c(C(N)=O)n1`
ZINC575410773	0.569	306.3 Da LogP 3.12 TPSA 83.8	✓ Ro5	✓ Clean	`Cc1cc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)nn1C`
ZINC575410777	0.569	293.3 Da LogP 3.38 TPSA 92.0	✓ Ro5	✓ Clean	`Cc1cc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)no1`
ZINC575410840	0.569	292.3 Da LogP 2.81 TPSA 83.8	✓ Ro5	✓ Clean	`Cn1cc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cn1`
ZINC20403763	0.558	318.3 Da LogP 4.09 TPSA 75.2	✓ Ro5	✓ Clean	`COc1cccc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)c1`
ZINC20610301	0.558	348.4 Da LogP 4.10 TPSA 84.4	✓ Ro5	✓ Clean	`COc1ccc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cc1OC`
ZINC2584195	0.551	280.3 Da LogP 1.95 TPSA 82.8	✓ Ro5	✓ Clean	`O=C(O)[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1`
ZINC902171	0.551	280.3 Da LogP 1.95 TPSA 82.8	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1`
ZINC1083103667	0.537	348.4 Da LogP 4.10 TPSA 84.4	✓ Ro5	✓ Clean	`COc1ccc(OC)c(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)c1`
ZINC139391980	0.537	284.4 Da LogP 4.28 TPSA 46.0	✓ Ro5	✓ Clean	`Oc1ccc2nc(-c3nc4ccccc4s3)sc2c1`
ZINC15216617	0.528	308.3 Da LogP 3.17 TPSA 99.3	✓ Ro5	✓ Clean	`O=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccc(CO)o2)n1`
ZINC575411047	0.527	306.3 Da LogP 3.30 TPSA 83.8	✓ Ro5	✓ Clean	`CCn1cc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cn1`
ZINC13383315	0.523	212.2 Da LogP 2.41 TPSA 66.0	✓ Ro5	✓ Clean	`O=C(O)c1nccc2c1[nH]c1ccccc12`
ZINC20104435	0.523	212.2 Da LogP 2.41 TPSA 66.0	✓ Ro5	✓ Clean	`O=C(O)c1cc2c(cn1)[nH]c1ccccc12`
ZINC12501123	0.522	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…`
ZINC4228234	0.522	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…`
ZINC79671662	0.522	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…`
ZINC79671663	0.522	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…`
ZINC2334905	0.522	261.4 Da LogP 1.10 TPSA 63.9	✓ Ro5	✓ Clean	`CC(C)CCN(CCC(C)C)C(CO)(CO)CO`
ZINC3159953	0.522	261.4 Da LogP 1.38 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCN(CCCCC)C(CO)(CO)CO`
ZINC4278228	0.521	240.3 Da LogP 2.81 TPSA 55.0	✓ Ro5	✓ Clean	`COC(=O)c1cc2c([nH]c3ccccc32)c(C)n1`
ZINC5910205	0.520	302.3 Da LogP 4.17 TPSA 55.0	✓ Ro5	✓ Clean	`COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1`
ZINC5956705	0.520	301.3 Da LogP 4.28 TPSA 57.8	✓ Ro5	✓ Clean	`Cc1nc(C(=O)Nc2ccccc2)cc2c1[nH]c1ccccc12`
ZINC39122823	0.513	230.1 Da LogP 2.76 TPSA 33.1	✓ Ro5	✓ Clean	`Oc1ccc2nc(Br)sc2c1`
ZINC29413288	0.512	227.3 Da LogP 3.67 TPSA 33.1	✓ Ro5	✓ Clean	`Oc1ccc2nc(-c3ccccc3)sc2c1`
ZINC5956695	0.509	295.3 Da LogP 2.50 TPSA 58.2	✓ Ro5	✓ Clean	`Cc1nc(C(=O)N2CCOCC2)cc2c1[nH]c1ccccc12`
ZINC5297554	0.500	289.5 Da LogP 2.16 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCN(CCCCCC)C(CO)(CO)CO`
ZINC97942927	0.500	373.6 Da LogP 4.51 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCCCCCN(CCCCCCCCC)C(CO)(CO)CO`

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.