Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA1987
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: pqqC PA1987
Status: annotated
Amino acids: 250
Structure source: AlphaFold

EC

1.3.3.11

GO

GO:0033732 Catalysis of the reaction: 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate + 3 O2 = 2 H2O + 2 H2O2 + H+ + pyrroloquinoline quinone. GO:0018189 The chemical reactions and pathways resulting in the formation of the cofactor pyrroloquinoline quinone (PQQ); it is synthesized from a small peptide containing tyrosine and glutamic acid; these amino acids in the peptide are multiply cross-linked and the rest of the peptide is removed.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
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 0.315

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 2 GO

Enzyme Commission (EC)

1

1.3.3.11

Gene Ontology (GO)

2

GO:0033732 Catalysis of the reaction: 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate + 3 O2 = 2 H2O + 2 H2O2 + H+ + pyrroloquinoline quinone.
GO:0018189 The chemical reactions and pathways resulting in the formation of the cofactor pyrroloquinoline quinone (PQQ); it is synthesized from a small peptide containing tyrosine and glutamic acid; these amino acids in the peptide are multiply cross-linked and the rest of the peptide is removed.

Sequence Features

Domain/signature hits from InterPro and related databases.

12 records

Show feature table

Start	End	DB	Term	Name
6	241	NCBIfam	TIGR02111	pyrroloquinoline-quinone synthase PqqC
6	241	InterPro	IPR011845	Coenzyme PQQ biosynthesis protein C
2	248	Gene3D	G3DSA:1.20.910.10	-
2	248	InterPro	IPR016084	Haem oxygenase-like, multi-helical
10	224	CDD	cd19370	TenA_PqqC
3	230	PANTHER	PTHR40279	PQQC-LIKE PROTEIN
3	230	InterPro	IPR039068	Pyrroloquinoline-quinone synthase-like
14	222	Pfam	PF03070	TENA/THI-4/PQQC family
14	222	InterPro	IPR004305	Thiaminase-2/PQQC
2	248	SUPERFAMILY	SSF48613	Heme oxygenase-like
1	250	Hamap	MF_00654	Pyrroloquinoline-quinone synthase [pqqC].
1	250	InterPro	IPR011845	Coenzyme PQQ biosynthesis protein C

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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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 PA1987	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				0.315
2				0.3

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.

2 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
AHQ	3HNH	A6T9H1	338.3 Da LogP -0.04 TPSA 176.4	1 viol.	Alert	`C1c2c(c3c(c(c2O)O)N[C@H](C[C@H]3C(=O)O)C(=O)O)N…`
PEO	1OTW	P27505	34.0 Da LogP 0.02 TPSA 40.5	✓ Ro5	✓ Clean	`OO`

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).

No virtual-screening candidates for this protein.

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.

PA1987