Protein profile

PA2475

cytochrome P450

Genome: NC_002516.2

Gene: PA2475 Structure source: AlphaFold UniProt Q9I107

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Amino acids 444

Annotations 4

Features 28

PDB binders 18

Druggability 0.922

Overview

Basic information about this protein and its source genome.

Accession: PA2475
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2475
Status: annotated
Amino acids: 444
Structure source: AlphaFold

GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring. GO:0005506 Binding to an iron (Fe) ion. GO:0004497 Catalysis of the incorporation of one atom of molecular oxygen (O2) into the substrate and the reduction of the other atom of O2 to water. GO:0016705 Catalysis of an oxidation-reduction (redox) reaction in which hydrogen or electrons are transferred from each of two donors, and molecular oxygen is reduced or incorporated into a donor.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 29.07
Human E-value: 2.34e-08
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 0.922

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring.
GO:0005506 Binding to an iron (Fe) ion.
GO:0004497 Catalysis of the incorporation of one atom of molecular oxygen (O2) into the substrate and the reduction of the other atom of O2 to water.
GO:0016705 Catalysis of an oxidation-reduction (redox) reaction in which hydrogen or electrons are transferred from each of two donors, and molecular oxygen is reduced or incorporated into a donor.

Sequence Features

Domain/signature hits from InterPro and related databases.

28 records

Show feature table

Start	End	DB	Term	Name
309	406	Pfam	PF00067	Cytochrome P450
25	435	Gene3D	G3DSA:1.10.630.10	Cytochrome P450
25	435	InterPro	IPR036396	Cytochrome P450 superfamily
18	435	PANTHER	PTHR46696	P450, PUTATIVE (EUROFUNG)-RELATED
182	197	PRINTS	PR00359	B-class P450 signature
182	197	InterPro	IPR002397	Cytochrome P450, B-class
310	321	PRINTS	PR00359	B-class P450 signature
310	321	InterPro	IPR002397	Cytochrome P450, B-class
377	386	PRINTS	PR00359	B-class P450 signature
377	386	InterPro	IPR002397	Cytochrome P450, B-class
327	354	PRINTS	PR00359	B-class P450 signature
327	354	InterPro	IPR002397	Cytochrome P450, B-class
119	130	PRINTS	PR00359	B-class P450 signature
119	130	InterPro	IPR002397	Cytochrome P450, B-class
165	181	PRINTS	PR00359	B-class P450 signature
165	181	InterPro	IPR002397	Cytochrome P450, B-class
386	397	PRINTS	PR00359	B-class P450 signature
386	397	InterPro	IPR002397	Cytochrome P450, B-class
355	370	PRINTS	PR00359	B-class P450 signature
355	370	InterPro	IPR002397	Cytochrome P450, B-class
32	434	SUPERFAMILY	SSF48264	Cytochrome P450
32	434	InterPro	IPR036396	Cytochrome P450 superfamily
309	406	InterPro	IPR001128	Cytochrome P450
53	433	CDD	cd20625	CYP164-like
25	435	FunFam	G3DSA:1.10.630.10:FF:000018	Cytochrome P450 monooxygenase
357	444	ProSiteProfiles	PS50835	Ig-like domain profile.
357	444	InterPro	IPR007110	Immunoglobulin-like domain
1	22	MobiDBLite	mobidb-lite	consensus disorder prediction

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 PA2475	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				0.922

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.

68 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
17Q	4BF4	O87605	297.5 Da LogP 5.41 TPSA 12.5	1 viol.	✓ Clean	`CN(C)CCCCCOC1CCCCCCCCCCC1`
1D2	2WI9	O87605	341.5 Da LogP 4.10 TPSA 41.9	✓ Ro5	✓ Clean	`C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2…`
1D4	2WHW	O87605	355.6 Da LogP 4.49 TPSA 41.9	✓ Ro5	✓ Clean	`C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC…`
9AP	1EGY	Q00441	193.2 Da LogP 3.58 TPSA 26.0	✓ Ro5	✓ Clean	`c1ccc2c(c1)cc(c3c2cccc3)N`
ASD	1EUP	Q00441	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]…`
DEB	1JIO	Q00441	386.5 Da LogP 2.18 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H…`
KTN	1JIN	Q00441	531.4 Da LogP 4.21 TPSA 69.1	1 viol.	Alert	`CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4cc…`
NRB	2VZM	O87605	509.7 Da LogP 3.40 TPSA 102.4	1 viol.	✓ Clean	`CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]…`
OXY	1Z8O	Q00441	32.0 Da LogP 0.07 TPSA 34.1	✓ Ro5	✓ Clean	`O=O`
PG0	3A4G	C4B644	120.1 Da LogP -0.36 TPSA 38.7	✓ Ro5	✓ Clean	`COCCOCCO`
PXI	2CD8	O87605	453.6 Da LogP 3.19 TPSA 85.3	✓ Ro5	✓ Clean	`CC[C@@H]1[C@@H](\C=C\C(=O)[C@H](C[C@@H]([C@@H](…`
QLE	4B7S	O87605	395.5 Da LogP 3.25 TPSA 72.9	✓ Ro5	✓ Clean	`CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]…`
TLA	3ZPI	O87605	150.1 Da LogP -2.12 TPSA 115.1	✓ Ro5	✓ Clean	`[C@@H]([C@H](C(=O)O)O)(C(=O)O)O`
V0A	6XA2	D3Y1J3	385.5 Da LogP 3.60 TPSA 85.2	✓ Ro5	✓ Clean	`C[C@H]1[C@H]2CC=C([C@](O2)(O[C@@H]1[C@H](C)/C=C…`
VD3	3A50	C4B644	384.6 Da LogP 7.62 TPSA 20.2	1 viol.	✓ Clean	`CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC…`
VDY	3A51	C4B644	400.6 Da LogP 6.73 TPSA 40.5	1 viol.	✓ Clean	`C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C…`
XJO	4UMZ	O87605	457.6 Da LogP 4.67 TPSA 72.9	✓ Ro5	✓ Clean	`CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]…`
Z18	3ZK5	O87605	381.5 Da LogP 2.86 TPSA 72.9	✓ Ro5	✓ Clean	`CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]…`

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
ZINC1073236208	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)C(…`
ZINC120294	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C…`
ZINC1580161	1.000	208.3 Da LogP -0.33 TPSA 57.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCO`
ZINC16052118	1.000	340.4 Da LogP -0.28 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCO`
ZINC16052257	1.000	384.5 Da LogP -0.26 TPSA 94.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC17146518	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@]3(…`
ZINC17146522	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C…`
ZINC2046798	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(…`
ZINC2122814	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H…`
ZINC253532761	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@…`
ZINC34317654	1.000	472.6 Da LogP -0.23 TPSA 112.5	1 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC3871562	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C…`
ZINC4081961	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@…`
ZINC4081965	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C…`
ZINC44076059	1.000	428.5 Da LogP -0.24 TPSA 103.3	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC4428526	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@…`
ZINC4521155	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@…`
ZINC4534097	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)C(=…`
ZINC4758892	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C…`
ZINC5210101	1.000	252.3 Da LogP -0.31 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCO`
ZINC5881455	1.000	286.4 Da LogP 4.09 TPSA 34.1	✓ Ro5	✓ Clean	`C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C…`
ZINC5997860	1.000	296.4 Da LogP -0.29 TPSA 75.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCO`
ZINC299810041	0.885	453.6 Da LogP 3.19 TPSA 85.3	✓ Ro5	✓ Clean	`CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C…`
ZINC28568236	0.795	489.4 Da LogP 3.95 TPSA 60.8	✓ Ro5	Alert	`Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](COc3ccc(N4CCNCC…`
ZINC31416683	0.795	489.4 Da LogP 3.95 TPSA 60.8	✓ Ro5	Alert	`Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](COc3ccc(N4CCNCC…`
ZINC38944078	0.795	489.4 Da LogP 3.95 TPSA 60.8	✓ Ro5	Alert	`Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](COc3ccc(N4CCNCC4…`
ZINC38944080	0.795	489.4 Da LogP 3.95 TPSA 60.8	✓ Ro5	Alert	`Clc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(N4CCNC…`
ZINC16036537	0.756	288.4 Da LogP 2.81 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]43O)[C@@…`
ZINC306121779	0.756	288.4 Da LogP 2.81 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43O)[C@…`
ZINC4027959	0.756	288.4 Da LogP 2.81 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43O)[C@…`
ZINC5921053	0.756	288.4 Da LogP 2.81 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43O)[C@…`
ZINC5921057	0.756	288.4 Da LogP 2.81 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43O)[C…`
ZINC96030821	0.756	288.4 Da LogP 2.81 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43O)[C…`
ZINC1560408761	0.750	287.4 Da LogP 4.42 TPSA 37.3	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@…`
ZINC2116002	0.744	302.4 Da LogP 3.06 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[…`
ZINC256981086	0.744	302.4 Da LogP 3.06 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[…`
ZINC388752	0.744	302.4 Da LogP 3.06 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[C…`
ZINC4025845	0.744	302.4 Da LogP 3.06 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[…`
ZINC4025846	0.744	302.4 Da LogP 3.06 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C…`
ZINC4025847	0.744	302.4 Da LogP 3.06 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[…`
ZINC4025848	0.744	302.4 Da LogP 3.06 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C…`
ZINC4546281	0.744	302.4 Da LogP 3.06 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CO)[C…`
ZINC895681	0.744	302.4 Da LogP 3.06 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[…`
ZINC90727064	0.744	302.4 Da LogP 3.06 TPSA 54.4	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CO)[C@…`
ZINC575419714	0.727	312.4 Da LogP 0.42 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCSCCOCCOCCO`
ZINC105227692	0.721	301.4 Da LogP 3.39 TPSA 46.2	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H…`
ZINC257356511	0.721	301.4 Da LogP 3.39 TPSA 46.2	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@…`
ZINC263611947	0.721	300.4 Da LogP 3.27 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C=O)[…`
ZINC4063366	0.721	300.4 Da LogP 3.27 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)…`
ZINC4063367	0.721	300.4 Da LogP 3.27 TPSA 51.2	✓ Ro5	✓ Clean	`C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[…`

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.