Protein profile

PA2118

O6-methylguanine-DNA methyltransferase

Genome: NC_002516.2

Gene: ada PA2118 Structure source: AlphaFold UniProt Q9I1Z7
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Amino acids 358
Annotations 10
Features 35
PDB binders 3
Druggability 0.39

Overview

Basic information about this protein and its source genome.

Accession
PA2118
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
ada PA2118
Status
annotated
Amino acids
358
Structure source
AlphaFold
GO
GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons. GO:0003908 Catalysis of the reaction: DNA (containing 6-O-methylguanine) + (protein)-L-cysteine = DNA (without 6-O-methylguanine) + protein S-methyl-L-cysteine. GO:0043565 Binding to DNA of a specific nucleotide composition, e.g. GC-rich DNA binding, or with a specific sequence motif or type of DNA e.g. promotor binding or rDNA binding. GO:0008270 Binding to a zinc ion (Zn). GO:0006281 The process of restoring DNA after damage. Genomes are subject to damage by chemical and physical agents in the environment (e.g. UV and ionizing radiations, chemical mutagens, fungal and bacterial toxins, etc.) and by free radicals or alkylating agents endogenously generated in metabolism. DNA is also damaged because of errors during its replication. A variety of different DNA repair pathways have been reported that include direct reversal, base excision repair, nucleotide excision repair, photoreactivation, bypass, double-strand break repair pathway, and mismatch repair pathway. 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 (%)
30.894
Human E-value
8.64e-11
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 0.39
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

10 GO

Gene Ontology (GO)

10
  • GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons.
  • GO:0003908 Catalysis of the reaction: DNA (containing 6-O-methylguanine) + (protein)-L-cysteine = DNA (without 6-O-methylguanine) + protein S-methyl-L-cysteine.
  • GO:0043565 Binding to DNA of a specific nucleotide composition, e.g. GC-rich DNA binding, or with a specific sequence motif or type of DNA e.g. promotor binding or rDNA binding.
  • GO:0008270 Binding to a zinc ion (Zn).
  • GO:0006281 The process of restoring DNA after damage. Genomes are subject to damage by chemical and physical agents in the environment (e.g. UV and ionizing radiations, chemical mutagens, fungal and bacterial toxins, etc.) and by free radicals or alkylating agents endogenously generated in metabolism. DNA is also damaged because of errors during its replication. A variety of different DNA repair pathways have been reported that include direct reversal, base excision repair, nucleotide excision repair, photoreactivation, bypass, double-strand break repair pathway, and mismatch repair pathway.
  • GO:0032259 The process in which a methyl group is covalently attached to a molecule.
  • GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
  • GO:0008168 Catalysis of the transfer of a methyl group to an acceptor molecule.

Sequence Features

Domain/signature hits from InterPro and related databases.

35 records
Show feature table
Start End DB Term Name
105 188 SMART SM00342 aracneu4
105 188 InterPro IPR018060 DNA binding HTH domain, AraC-type
90 137 SUPERFAMILY SSF46689 Homeodomain-like
90 137 InterPro IPR009057 Homeobox-like domain superfamily
2 358 PIRSF PIRSF000409 Ada
2 358 InterPro IPR016221 Bifunctional regulatory protein Ada
275 358 FunFam G3DSA:1.10.10.10:FF:000410 ADA regulatory protein, putative
187 273 Gene3D G3DSA:3.30.160.70 -
10 97 SUPERFAMILY SSF57884 Ada DNA repair protein, N-terminal domain (N-Ada 10)
10 97 InterPro IPR035451 Ada-like domain superfamily
274 357 Gene3D G3DSA:1.10.10.10 -
274 357 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
16 77 Pfam PF02805 Metal binding domain of Ada
16 77 InterPro IPR004026 Ada DNA repair, metal-binding
142 186 Gene3D G3DSA:1.10.10.60 -
111 189 Pfam PF12833 Helix-turn-helix domain
111 189 InterPro IPR018060 DNA binding HTH domain, AraC-type
278 355 CDD cd06445 ATase
278 355 InterPro IPR014048 Methylated-DNA-[protein]-cysteine S-methyltransferase, DNA binding
108 190 ProSiteProfiles PS01124 Bacterial regulatory proteins, araC family DNA-binding domain profile.
108 190 InterPro IPR018060 DNA binding HTH domain, AraC-type
276 355 NCBIfam TIGR00589 methylated-DNA--[protein]-cysteine S-methyltransferase
276 355 InterPro IPR014048 Methylated-DNA-[protein]-cysteine S-methyltransferase, DNA binding
84 141 Gene3D G3DSA:1.10.10.60 -
196 274 SUPERFAMILY SSF53155 Methylated DNA-protein cysteine methyltransferase domain
196 274 InterPro IPR036631 Methylated DNA-protein cysteine methyltransferase domain superfamily
326 332 ProSitePatterns PS00374 Methylated-DNA--protein-cysteine methyltransferase active site.
326 332 InterPro IPR001497 Methylated-DNA-[protein]-cysteine S-methyltransferase, active site
277 356 Pfam PF01035 6-O-methylguanine DNA methyltransferase, DNA binding domain
277 356 InterPro IPR014048 Methylated-DNA-[protein]-cysteine S-methyltransferase, DNA binding
8 80 Gene3D G3DSA:3.40.10.10 DNA Methylphosphotriester Repair Domain
8 80 InterPro IPR035451 Ada-like domain superfamily
195 357 PANTHER PTHR10815 METHYLATED-DNA--PROTEIN-CYSTEINE METHYLTRANSFERASE
275 356 SUPERFAMILY SSF46767 Methylated DNA-protein cysteine methyltransferase, C-terminal domain
275 356 InterPro IPR036217 Methylated DNA-protein cysteine methyltransferase, DNA binding domain

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 PA2118
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
2 0.39
4 0.24

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.

53 records

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
ETW
6GA0
Q97VW7 479.5 Da LogP 5.21 TPSA 116.8 1 viol. ✓ Clean Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)O)C3=C4C=CC(=…
OGQ
6Y8P
E5BBQ0 534.6 Da LogP 5.24 TPSA 85.8 2 viol. ✓ Clean Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+](C)…
PBO
3GYH
Q9UTN9 149.2 Da LogP 2.06 TPSA 30.0 ✓ Ro5 ✓ Clean CCCC(=O)c1cccnc1

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.