Protein profile

PA1227

hypothetical protein

Genome: NC_002516.2

Gene: PA1227 Structure source: AlphaFold UniProt Q9I4B1

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Amino acids 282

Annotations 0

Features 8

PDB binders 8

Druggability 0.887

Overview

Basic information about this protein and its source genome.

Accession: PA1227
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1227
Status: annotated
Amino acids: 282
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 0.887

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.

8 records

Show feature table

Start	End	DB	Term	Name
1	82	Gene3D	G3DSA:3.30.200.20	Phosphorylase Kinase; domain 1
15	241	Pfam	PF01636	Phosphotransferase enzyme family
15	241	InterPro	IPR002575	Aminoglycoside phosphotransferase
7	277	PIRSF	PIRSF000707	Hygromycin-B_kin
7	277	InterPro	IPR016259	Hygromycin-B kinase
83	258	Gene3D	G3DSA:3.90.1200.10	-
12	246	SUPERFAMILY	SSF56112	Protein kinase-like (PK-like)
12	246	InterPro	IPR011009	Protein kinase-like 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 PA1227	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				0.887
5				0.777

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.

58 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
4XR	5C4L	O68183	144.2 Da LogP -1.10 TPSA 81.5	✓ Ro5	✓ Clean	`C1C=C(O[C@@H]([C@@H]1N)O)CN`
ADN	4DT8	O68183	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…`
EDS	6CD7	O68183	592.7 Da LogP -5.36 TPSA 269.3	3 viol.	✓ Clean	`C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H…`
GET	5C4K	O68183	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@…`
KAN	3SG9	O68183	484.5 Da LogP -7.29 TPSA 282.6	2 viol.	✓ Clean	`C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@…`
QUE	4DFU	O68183	302.2 Da LogP 1.99 TPSA 131.4	✓ Ro5	Alert	`c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O`
SIS	5C4L	O68183	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H…`
TOY	3SG8	O68183	467.5 Da LogP -6.30 TPSA 268.2	2 viol.	✓ Clean	`C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C…`

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
ZINC100069123	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[…`
ZINC106588639	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](…`
ZINC1772820029	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H]…`
ZINC1857790211	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](N)C[C@@…`
ZINC1857790212	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](N)C[C@@…`
ZINC1857790215	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N…`
ZINC2047403	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O`
ZINC2169830	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O`
ZINC238809480	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H](N)C[C@H](N…`
ZINC238809483	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](O…`
ZINC252460108	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](…`
ZINC253380792	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H](N)C[C@H](N…`
ZINC253380793	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@H](O[C@@H]2[C@H](N)C[C@H](N…`
ZINC253380794	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](O…`
ZINC253380795	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](O…`
ZINC255272060	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N…`
ZINC38139449	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H]…`
ZINC38139450	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H]…`
ZINC3830178	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O`
ZINC3830179	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O`
ZINC3978047	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O`
ZINC3978049	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O`
ZINC4048240	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O`
ZINC49708768	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H]…`
ZINC575409185	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@@H](O[C@H]2[C@H](N)C[C@@H](…`
ZINC575409186	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](…`
ZINC60183639	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](N)C[C@@H]…`
ZINC60183641	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](N)C[C@@H]…`
ZINC60183644	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](N)C[C@@H]…`
ZINC60183647	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](N)C[C@@H]…`
ZINC60184326	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[…`
ZINC60184549	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](O)[C@@H](…`
ZINC60184552	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](O)[C@@H](…`
ZINC60184554	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](O…`
ZINC60184556	1.000	447.5 Da LogP -3.85 TPSA 213.7	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](O…`
ZINC64857811	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](…`
ZINC70691602	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](N)C[C@@H]…`
ZINC70691603	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](N)C[C@@H]…`
ZINC70691604	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](…`
ZINC70691605	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](…`
ZINC72332859	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](N)C[C@@H]…`
ZINC72332860	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](N)C[C@@H]…`
ZINC8580514	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O`
ZINC895113	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O`
ZINC896706	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O`
ZINC936069019	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](N)C[C@H](…`
ZINC936069020	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](N)C[C@H](…`
ZINC936069021	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](N)C[C@H](…`
ZINC936069022	1.000	496.6 Da LogP -5.61 TPSA 248.4	2 viol.	✓ Clean	`CN[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](N)C[C@H](…`
ZINC970363	1.000	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O`

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.