Protein profile

PA1200

hypothetical protein

Genome: NC_002516.2

Gene: PA1200 Structure source: AlphaFold UniProt Q9I4D8

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Amino acids 220

Annotations 3

Features 10

PDB binders 12

Druggability 0.599

Overview

Basic information about this protein and its source genome.

Accession: PA1200
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1200
Status: annotated
Amino acids: 220
Structure source: AlphaFold

GO:0008171 Catalysis of the transfer of a methyl group to the oxygen atom of an acceptor molecule. GO:0008757 Catalysis of the transfer of a methyl group from S-adenosyl-L-methionine to a substrate. GO:0032259 The process in which a methyl group is covalently attached to a molecule.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 46.243
Human E-value: 1e-38
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 0.599

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MTTRTLNLDDNLYRYLLDVSLRETPLMTRLREETAKLPNARWQIAPEQGQFIALLLTLIGARRALEVGTFTGYSALCMATALGEQGRLTCCDLPGDYHLTARRYWREAAVEERIELRLGPALETLRALLDEGLAGQFDLAFIDADKANYPEYLEAALALVRQGGLVLFDNVLWSGRVLEAQPKSADTRGIQQLNLALKNDARVDYSLLPIGDGLSVCRKR

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

GO:0008171 Catalysis of the transfer of a methyl group to the oxygen atom of an acceptor molecule.
GO:0008757 Catalysis of the transfer of a methyl group from S-adenosyl-L-methionine to a substrate.
GO:0032259 The process in which a methyl group is covalently attached to a molecule.

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records

Show feature table

Start	End	DB	Term	Name
3	220	ProSiteProfiles	PS51682	SAM-dependent O-methyltransferase class I-type profile.
3	220	InterPro	IPR002935	Class I-like SAM-dependent O-methyltransferase
4	219	PANTHER	PTHR10509	O-METHYLTRANSFERASE-RELATED
19	219	Pfam	PF01596	O-methyltransferase
19	219	InterPro	IPR002935	Class I-like SAM-dependent O-methyltransferase
8	220	SUPERFAMILY	SSF53335	S-adenosyl-L-methionine-dependent methyltransferases
8	220	InterPro	IPR029063	S-adenosyl-L-methionine-dependent methyltransferase superfamily
63	168	CDD	cd02440	AdoMet_MTases
1	220	Gene3D	G3DSA:3.40.50.150	Vaccinia Virus protein VP39
1	220	InterPro	IPR029063	S-adenosyl-L-methionine-dependent methyltransferase 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 PA1200	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				0.599
2				0.53

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.

62 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
4FE	3CBG	Q55813	194.2 Da LogP 1.50 TPSA 66.8	✓ Ro5	✓ Clean	`COc1ccc(cc1O)\C=C\C(=O)O`
BU3	5LHM	Q50859	90.1 Da LogP -0.25 TPSA 40.5	✓ Ro5	✓ Clean	`C[C@H]([C@@H](C)O)O`
DNC	3A7E	P21964-2	200.1 Da LogP 0.91 TPSA 126.7	✓ Ro5	Alert	`c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-]`
EAO	6LFE	P22734-2	265.2 Da LogP 1.57 TPSA 117.7	✓ Ro5	Alert	`CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C`
FBN	3A7D	P22734-2	528.4 Da LogP -1.43 TPSA 262.7	3 viol.	Alert	`c1c(cc(c(c1C(=O)NCc2cn(nn2)C[C@@H]3[C@H]([C@H](…`
FER	3CBG	Q55813	194.2 Da LogP 1.50 TPSA 66.8	✓ Ro5	✓ Clean	`COc1cc(ccc1O)\C=C\C(=O)O`
FGQ	6GY1	P22734-2	317.3 Da LogP 3.22 TPSA 67.3	✓ Ro5	✓ Clean	`Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3)O)F`
FRE	1SUI	Q40313	959.7 Da LogP -0.20 TPSA 413.3	3 viol.	Alert	`CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]…`
KOM	2ZVJ	P22734-2	254.2 Da LogP 2.87 TPSA 70.7	✓ Ro5	Alert	`c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O`
LDP	5LOG	Q50859	153.2 Da LogP 0.60 TPSA 66.5	✓ Ro5	Alert	`c1cc(c(cc1CCN)O)O`
SFG	6I3D	P21964-2	381.4 Da LogP -2.06 TPSA 208.7	2 viol.	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…`
SPF	1SUS	Q40313	971.7 Da LogP -0.15 TPSA 402.3	3 viol.	✓ Clean	`CC1([C@H](C1(C(=O)NCCC(=O)NCCSC(=O)\C=C\c2cc(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
ZINC1857643833	1.000	317.3 Da LogP 3.22 TPSA 67.3	✓ Ro5	✓ Clean	`Cc1ccc(S(=O)(=O)c2cc(F)c(O)c3ncccc23)cc1`
ZINC2170217	1.000	200.1 Da LogP 0.91 TPSA 126.7	✓ Ro5	Alert	`O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1`
ZINC406883	1.000	254.2 Da LogP 2.87 TPSA 70.7	✓ Ro5	Alert	`O=c1cc(-c2ccccc2)c2ccc(O)c(O)c2o1`
ZINC4217451	1.000	381.4 Da LogP -2.06 TPSA 208.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N…`
ZINC1883067	0.792	229.1 Da LogP 1.12 TPSA 149.7	✓ Ro5	✓ Clean	`O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-…`
ZINC13511212	0.769	342.3 Da LogP 3.38 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(/C=C/c2cc(/C=C/C(=O)O)cc(OC)c2O)ccc1O`
ZINC116202	0.758	208.2 Da LogP 1.80 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)O)cc1OC`
ZINC1857775664	0.758	208.2 Da LogP 1.80 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(C=CC(=O)O)cc1OC`
ZINC6007189	0.758	208.2 Da LogP 1.80 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(/C=C\C(=O)O)cc1OC`
ZINC12358996	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)/C=C\c1ccc(O)c(OC)c1`
ZINC1621053	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)/C=C/c1ccc(O)c(OC)c1`
ZINC17255287	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc…`
ZINC1857743026	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O`
ZINC1903846672	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)C=Cc1ccc(O)c(OC)c1`
ZINC2040753044	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)C=Cc1ccc(OC)c(O)c1`
ZINC31261437	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)CC(=O)/C=C\c2ccc(O)c(OC)c2)ccc…`
ZINC31430036	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)/C=C\c1ccc(OC)c(O)c1`
ZINC6018515	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)/C=C/c1ccc(OC)c(O)c1`
ZINC899824	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc…`
ZINC42239	0.737	252.3 Da LogP 3.47 TPSA 50.4	✓ Ro5	✓ Clean	`Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12`
ZINC100067274	0.730	368.4 Da LogP 3.85 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)cc…`
ZINC104896565	0.730	368.4 Da LogP 3.85 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)cc…`
ZINC828809065	0.718	268.3 Da LogP 2.66 TPSA 70.7	✓ Ro5	✓ Clean	`O=c1cc(-c2ccccc2)c2ccc(O)c(CO)c2o1`
ZINC34261082	0.714	202.1 Da LogP 1.35 TPSA 106.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1cc(F)c(O)c([N+](=O)[O-])c1`
ZINC67317204	0.711	315.4 Da LogP 2.79 TPSA 87.5	✓ Ro5	✓ Clean	`Cc1ccc(S(=O)(=O)c2cc(O)c3cccnc3c2O)cc1`
ZINC3921797	0.711	254.3 Da LogP 3.30 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)c2ccccc2)cc1O`
ZINC3921800	0.711	254.3 Da LogP 3.30 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)c2ccccc2)ccc1O`
ZINC95648	0.711	288.3 Da LogP 4.32 TPSA 50.4	✓ Ro5	✓ Clean	`O=c1cc(-c2ccccc2)c2ccc3c(O)cccc3c2o1`
ZINC185070	0.710	272.3 Da LogP 3.29 TPSA 58.9	✓ Ro5	✓ Clean	`COc1cc(/C=C/c2ccc(O)c(OC)c2)ccc1O`
ZINC68564159	0.704	366.2 Da LogP 2.40 TPSA 213.0	✓ Ro5	✓ Clean	`O=[N+]([O-])c1cc(-c2cc([N+](=O)[O-])cc([N+](=O)…`
ZINC2040417310	0.703	208.2 Da LogP 1.89 TPSA 66.8	✓ Ro5	✓ Clean	`CCOc1cc(C=CC(=O)O)ccc1O`
ZINC2168918	0.703	208.2 Da LogP 1.89 TPSA 66.8	✓ Ro5	✓ Clean	`CCOc1cc(/C=C/C(=O)O)ccc1O`
ZINC33956762	0.703	234.3 Da LogP 3.03 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)C(C)(C)C)ccc1O`
ZINC120440	0.694	257.1 Da LogP 2.56 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)O)cc1Br`
ZINC1911787246	0.694	257.1 Da LogP 2.56 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(C=CC(=O)O)cc1Br`
ZINC2053515671	0.694	212.6 Da LogP 2.45 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(C=CC(=O)O)cc1Cl`
ZINC479915	0.694	212.6 Da LogP 2.45 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)O)cc1Cl`
ZINC5908418	0.694	212.6 Da LogP 2.45 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C\C(=O)O)cc1Cl`
ZINC6007078	0.694	257.1 Da LogP 2.56 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(/C=C\C(=O)O)cc1Br`
ZINC84193145	0.694	212.6 Da LogP 2.45 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)O)ccc1Cl`
ZINC88326938	0.694	257.1 Da LogP 2.56 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)O)ccc1Br`
ZINC2053571206	0.686	210.2 Da LogP 1.20 TPSA 87.0	✓ Ro5	Alert	`COc1cc(C=CC(=O)O)cc(O)c1O`
ZINC895821	0.686	210.2 Da LogP 1.20 TPSA 87.0	✓ Ro5	Alert	`COc1cc(/C=C/C(=O)O)cc(O)c1O`
ZINC2356428976	0.684	354.4 Da LogP 3.07 TPSA 104.1	✓ Ro5	Alert	`COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)ccc1O`
ZINC34581303	0.684	234.3 Da LogP 1.96 TPSA 63.6	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)CC(C)=O)ccc1O`
ZINC5543044	0.684	354.4 Da LogP 3.07 TPSA 104.1	✓ Ro5	Alert	`COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O`
ZINC386241	0.683	280.3 Da LogP 3.37 TPSA 67.5	✓ Ro5	✓ Clean	`CC(=O)c1c(O)ccc2c(-c3ccccc3)cc(=O)oc12`
ZINC486047	0.683	284.3 Da LogP 2.88 TPSA 79.9	✓ Ro5	Alert	`COc1ccc(-c2cc(=O)oc3c(O)c(O)ccc23)cc1`
ZINC1903870248	0.676	224.2 Da LogP 1.51 TPSA 76.0	✓ Ro5	✓ Clean	`COc1cc(C=CC(=O)O)cc(OC)c1O`
ZINC6004394	0.676	224.2 Da LogP 1.51 TPSA 76.0	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)O)cc(OC)c1O`

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.