Protein profile

PA2861

2'-5' RNA ligase

Genome: NC_002516.2

Gene: ligT PA2861 Structure source: AlphaFold UniProt Q9HZY3

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Amino acids 182

Annotations 4

Features 10

PDB binders 1

Druggability 0.649

Overview

Basic information about this protein and its source genome.

Accession: PA2861
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: ligT PA2861
Status: annotated
Amino acids: 182
Structure source: AlphaFold

3.1.4.58

GO:0004113 Catalysis of the reaction: nucleoside 2',3'-cyclic phosphate + H2O = nucleoside 2'-phosphate. GO:0016874 Catalysis of the joining of two molecules, or two groups within a single molecule, using the energy from the hydrolysis of ATP, a similar triphosphate, or a pH gradient. GO:0008664 Catalysis the reaction: a 3'-end 2',3'-cyclophospho-ribonucleotide-RNA + H2O = a 3'-end 2'-phospho-ribonucleotide-RNA + H+.

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 0.649

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MPDRSLRLFFALPCPPPLAERIGRWRDDRPLPGRQVATANLHLTLAFLGQVPSARLEALLDMAAAIEAAPFDLYLDRLLRWRNGILLLAPSQPPGALLRLRRALRSGLAELELPVETRSFSAHLTLARDAAPLEDAPLPPTFVWQVDHFSLFCSQNDAAGVRYRTLRRWALCGEDSNERFAP

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

3.1.4.58

Gene Ontology (GO)

GO:0004113 Catalysis of the reaction: nucleoside 2',3'-cyclic phosphate + H2O = nucleoside 2'-phosphate.
GO:0016874 Catalysis of the joining of two molecules, or two groups within a single molecule, using the energy from the hydrolysis of ATP, a similar triphosphate, or a pH gradient.
GO:0008664 Catalysis the reaction: a 3'-end 2',3'-cyclophospho-ribonucleotide-RNA + H2O = a 3'-end 2'-phospho-ribonucleotide-RNA + H+.

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records

Show feature table

Start	End	DB	Term	Name
7	173	SUPERFAMILY	SSF55144	LigT-like
7	173	InterPro	IPR009097	Cyclic phosphodiesterase
3	172	Gene3D	G3DSA:3.90.1140.10	Cyclic phosphodiesterase
15	156	Pfam	PF13563	2'-5' RNA ligase superfamily
6	171	Hamap	MF_01940	RNA 2',3'-cyclic phosphodiesterase [thpR].
6	171	InterPro	IPR004175	RNA 2',3'-cyclic phosphodiesterase
3	172	PANTHER	PTHR35561	RNA 2',3'-CYCLIC PHOSPHODIESTERASE
3	172	InterPro	IPR004175	RNA 2',3'-cyclic phosphodiesterase
7	171	NCBIfam	TIGR02258	RNA 2',3'-cyclic phosphodiesterase
7	171	InterPro	IPR004175	RNA 2',3'-cyclic phosphodiesterase

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 PA2861	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
3				0.649
1				0.285
5				0.261

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.

51 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
2AM	4QAK	P37025	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…`

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
ZINC13424932	1.000	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1…`
ZINC13424933	1.000	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O…`
ZINC2036187	1.000	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OP…`
ZINC3861741	1.000	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O…`
ZINC44960119	1.000	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O…`
ZINC4513863	1.000	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1…`
ZINC4513866	1.000	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]…`
ZINC12958381	0.882	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)…`
ZINC13546985	0.882	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](OP(=O)(O)O…`
ZINC1631259	0.882	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)…`
ZINC79090744	0.882	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](OP(=O)(O)O…`
ZINC3871401	0.818	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…`
ZINC3871402	0.818	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…`
ZINC3871403	0.818	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…`
ZINC3871404	0.818	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…`
ZINC4096223	0.818	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…`
ZINC12501123	0.750	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	0.750	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	0.750	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	0.750	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…`
ZINC12496332	0.741	281.3 Da LogP -1.33 TPSA 128.5	✓ Ro5	✓ Clean	`CO[C@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@H](CO)[C@H]…`
ZINC247825485	0.741	281.3 Da LogP -1.33 TPSA 128.5	✓ Ro5	✓ Clean	`CO[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(N)ncnc…`
ZINC2617	0.741	281.3 Da LogP -1.33 TPSA 128.5	✓ Ro5	✓ Clean	`CO[C@H]1[C@@H](O)[C@H](CO)O[C@@H]1n1cnc2c(N)ncn…`
ZINC3776540	0.741	281.3 Da LogP -1.33 TPSA 128.5	✓ Ro5	✓ Clean	`CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncn…`
ZINC38599716	0.741	281.3 Da LogP -1.33 TPSA 128.5	✓ Ro5	✓ Clean	`CO[C@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncn…`
ZINC4517830	0.741	281.3 Da LogP -1.33 TPSA 128.5	✓ Ro5	✓ Clean	`CO[C@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@@H](CO)[C@H…`
ZINC4517834	0.741	281.3 Da LogP -1.33 TPSA 128.5	✓ Ro5	✓ Clean	`CO[C@@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@@H](CO)[C@…`
ZINC57416	0.741	281.3 Da LogP -1.33 TPSA 128.5	✓ Ro5	✓ Clean	`CO[C@@H]1[C@@H](O)[C@H](CO)O[C@@H]1n1cnc2c(N)nc…`
ZINC66155294	0.741	281.3 Da LogP -1.33 TPSA 128.5	✓ Ro5	✓ Clean	`CO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc…`
ZINC79682528	0.741	281.3 Da LogP -1.33 TPSA 128.5	✓ Ro5	✓ Clean	`CO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc…`
ZINC115141587	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n…`
ZINC15657781	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)…`
ZINC230402270	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(…`
ZINC230402277	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@H](CO)[…`
ZINC247880594	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(N)n…`
ZINC2583383	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@H]1[C@@H](O)[C@H](CO)O[C@@H]1n1cnc2c(N)…`
ZINC44699702	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)…`
ZINC65743242	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@@H](CO)[…`
ZINC83291128	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N…`
ZINC85475063	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@H](CO)[C…`
ZINC90556175	0.719	325.3 Da LogP -1.31 TPSA 137.8	✓ Ro5	✓ Clean	`COCCO[C@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(N…`
ZINC13549616	0.714	348.2 Da LogP -1.74 TPSA 180.3	✓ Ro5	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(O)nc…`
ZINC2047673	0.706	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	0.706	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O`
ZINC3201878	0.706	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]…`
ZINC3830178	0.706	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O`
ZINC3978048	0.706	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@H]1O`
ZINC8580514	0.706	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	0.706	267.2 Da LogP -1.98 TPSA 139.5	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O`
ZINC970363	0.706	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.