Protein profile

PA0250

hypothetical protein

Genome: NC_002516.2

Gene: PA0250 Structure source: AlphaFold UniProt Q9I6N9

Export view

Amino acids 144

Annotations 0

Features 19

PDB binders 2

Druggability 0.851

Overview

Basic information about this protein and its source genome.

Accession: PA0250
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0250
Status: annotated
Amino acids: 144
Structure source: AlphaFold

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
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 0.851

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.

19 records

Show feature table

Start	End	DB	Term	Name
3	144	PANTHER	PTHR43080	CBS DOMAIN-CONTAINING PROTEIN CBSX3, MITOCHONDRIAL
77	132	ProSiteProfiles	PS51371	CBS domain profile.
77	132	InterPro	IPR000644	CBS domain
80	127	SMART	SM00116	cbs_1
80	127	InterPro	IPR000644	CBS domain
15	62	SMART	SM00116	cbs_1
15	62	InterPro	IPR000644	CBS domain
1	144	Gene3D	G3DSA:3.10.580.10	-
1	144	InterPro	IPR046342	CBS domain superfamily
14	61	Pfam	PF00571	CBS domain
14	61	InterPro	IPR000644	CBS domain
74	125	Pfam	PF00571	CBS domain
74	125	InterPro	IPR000644	CBS domain
10	142	SUPERFAMILY	SSF54631	CBS-domain pair
10	142	InterPro	IPR046342	CBS domain superfamily
12	68	ProSiteProfiles	PS51371	CBS domain profile.
12	68	InterPro	IPR000644	CBS domain
13	124	CDD	cd04623	CBS_pair_bac_euk
13	124	InterPro	IPR044725	CBS domain-containing protein CBSX3, CBS domain

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...

Legend High Medium Low

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 PA0250	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
4				0.851
3				0.586
1				0.381

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.

52 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
CMK	4O9K	Q60AU8	543.4 Da LogP -4.78 TPSA 293.8	3 viol.	✓ Clean	`C1[C@H]([C@H]([C@H](O[C@@]1(C(=O)O)O[P@@](=O)(O…`
DO3	5NPL	A8YJ50	404.5 Da LogP -2.16 TPSA 145.1	✓ Ro5	✓ Clean	`C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)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
ZINC22016976	1.000	404.5 Da LogP -2.16 TPSA 145.1	✓ Ro5	✓ Clean	`C[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)…`
ZINC22016981	1.000	404.5 Da LogP -2.16 TPSA 145.1	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O…`
ZINC19795335	0.741	200.3 Da LogP 0.34 TPSA 43.8	✓ Ro5	✓ Clean	`CC(C)CN1CCN(CC(=O)O)CC1`
ZINC19364558	0.667	202.3 Da LogP -0.63 TPSA 46.9	✓ Ro5	✓ Clean	`C[C@@H](O)CN1CCN(C[C@@H](C)O)CC1`
ZINC19364560	0.667	202.3 Da LogP -0.63 TPSA 46.9	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(C[C@H](C)O)CC1`
ZINC23477159	0.667	202.3 Da LogP -0.63 TPSA 46.9	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(C[C@@H](C)O)CC1`
ZINC19365651	0.625	303.3 Da LogP -1.84 TPSA 121.6	✓ Ro5	✓ Clean	`O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1`
ZINC19366645	0.625	202.2 Da LogP -1.23 TPSA 81.1	✓ Ro5	✓ Clean	`O=C(O)CN1CCN(CC(=O)O)CC1`
ZINC22059268	0.625	404.4 Da LogP -2.45 TPSA 162.2	✓ Ro5	✓ Clean	`O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1`
ZINC8216074	0.622	477.3 Da LogP -2.95 TPSA 253.3	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)…`
ZINC8551188	0.622	477.3 Da LogP -2.95 TPSA 253.3	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)O…`
ZINC37895156	0.621	208.2 Da LogP -0.05 TPSA 43.8	✓ Ro5	✓ Clean	`O=C(O)CN1CCN(CC(F)F)CC1`
ZINC67821583	0.613	232.3 Da LogP -0.69 TPSA 62.2	✓ Ro5	✓ Clean	`COC(CN1CCN(CC(=O)O)CC1)OC`
ZINC85436913	0.606	283.4 Da LogP 0.39 TPSA 47.0	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(CC(=O)N2CCCCCC2)CC1`
ZINC85436914	0.606	283.4 Da LogP 0.39 TPSA 47.0	✓ Ro5	✓ Clean	`C[C@@H](O)CN1CCN(CC(=O)N2CCCCCC2)CC1`
ZINC104864216	0.600	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@](=O)(O)OP(=O)(O)O)[C…`
ZINC12504412	0.600	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…`
ZINC12504413	0.600	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC12504414	0.600	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC13431045	0.600	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC13431047	0.600	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…`
ZINC13548733	0.600	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC33913782	0.600	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC8215624	0.600	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC12502055	0.583	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…`
ZINC12502057	0.583	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC12502058	0.583	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC13431057	0.583	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC13431059	0.583	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…`
ZINC25726736	0.583	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC3861746	0.583	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)…`
ZINC53683723	0.583	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…`
ZINC82142138	0.583	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC82142140	0.583	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC146373408	0.577	337.2 Da LogP -1.79 TPSA 166.4	✓ Ro5	✓ Clean	`CO[P@](=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H…`
ZINC261570401	0.568	230.3 Da LogP -0.15 TPSA 64.0	✓ Ro5	✓ Clean	`CC[C@@H]1CN(CC(=O)O)CCN1C[C@@H](C)O`
ZINC261570402	0.568	230.3 Da LogP -0.15 TPSA 64.0	✓ Ro5	✓ Clean	`CC[C@H]1CN(CC(=O)O)CCN1C[C@H](C)O`
ZINC261570403	0.568	230.3 Da LogP -0.15 TPSA 64.0	✓ Ro5	✓ Clean	`CC[C@@H]1CN(CC(=O)O)CCN1C[C@H](C)O`
ZINC261570404	0.568	230.3 Da LogP -0.15 TPSA 64.0	✓ Ro5	✓ Clean	`CC[C@H]1CN(CC(=O)O)CCN1C[C@@H](C)O`
ZINC8216134	0.568	446.2 Da LogP -2.35 TPSA 238.9	2 viol.	✓ Clean	`NCCO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](n2c…`
ZINC8627948	0.568	399.3 Da LogP -0.36 TPSA 166.4	✓ Ro5	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@](=O)(O)Oc3ccccc3)[C@…`
ZINC1532524	0.565	323.2 Da LogP -2.45 TPSA 177.4	✓ Ro5	✓ Clean	`Nc1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]…`
ZINC16546001	0.565	323.2 Da LogP -2.45 TPSA 177.4	✓ Ro5	✓ Clean	`Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]…`
ZINC1785780	0.565	323.2 Da LogP -2.45 TPSA 177.4	✓ Ro5	✓ Clean	`Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H…`
ZINC3861744	0.565	323.2 Da LogP -2.45 TPSA 177.4	✓ Ro5	✓ Clean	`Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]…`
ZINC3869480	0.565	323.2 Da LogP -2.45 TPSA 177.4	✓ Ro5	✓ Clean	`Nc1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]…`
ZINC3869482	0.565	323.2 Da LogP -2.45 TPSA 177.4	✓ Ro5	✓ Clean	`Nc1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H…`
ZINC3869483	0.565	323.2 Da LogP -2.45 TPSA 177.4	✓ Ro5	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@…`
ZINC3954230	0.565	323.2 Da LogP -2.45 TPSA 177.4	✓ Ro5	✓ Clean	`Nc1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]2…`
ZINC8613159	0.565	323.2 Da LogP -2.45 TPSA 177.4	✓ Ro5	✓ Clean	`Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2…`

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.