Protein profile

PA0705

alpha-1,6-rhamnosyltransferase MigA

Genome: NC_002516.2

Gene: PA0705 migA Structure source: AlphaFold UniProt Q9I5M1

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Amino acids 299

Annotations 4

Features 9

PDB binders 2

Druggability 0.762

Overview

Basic information about this protein and its source genome.

Accession: PA0705
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0705 migA
Status: annotated
Amino acids: 299
Structure source: AlphaFold

GO:0016757 Catalysis of the transfer of a glycosyl group from one compound (donor) to another (acceptor). GO:0009244 The chemical reactions and pathways resulting in the formation of the core region of bacterial lipopolysaccharides, which contains ten saccharide residues. GO:0015920 The directed movement of lipopolysaccharides into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. A lipopolysaccharide is any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria. Lipopolysaccharides consist three covalently linked regions, lipid A, core oligosaccharide, and an O side chain. Lipid A is responsible for the toxicity of the lipopolysaccharide. GO:0044010 A process in which planktonically growing microorganisms of the same species grow at a liquid-air interface or on a solid substrate under the flow of a liquid and produce extracellular polymers that facilitate matrix formation, resulting in a change in the organisms' growth rate and gene transcription.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 32.258
Human E-value: 1.9e-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 0.762

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MIEEATSSKHSGTTDAPLVSVVAPCFNAEKYLEEALRSIYEQDYPNFEVIIVDDGSTDNSYAMLEQLQKVHGFQLYRQQNQGVSAALNFGLRHARGDYVATPDLDDIMLPHSLSVRAAYLDQHPEVGCVGALVIYIDSEGQETKRQNGNRIRQLDFDYLLGNAYVCGAPVSLYRMEALRAAGFYDPEIKVQDFQMTLRIASQGYQIHKLPVLVTRYRRHPDNLSRRYKVLLDADLRTIAPYQSHPAYERGRTELVNKALKYAVVADKRHAWQLLRSLPLRQWNRTTFRRLKRFLLHHES

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

GO:0016757 Catalysis of the transfer of a glycosyl group from one compound (donor) to another (acceptor).
GO:0009244 The chemical reactions and pathways resulting in the formation of the core region of bacterial lipopolysaccharides, which contains ten saccharide residues.
GO:0015920 The directed movement of lipopolysaccharides into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. A lipopolysaccharide is any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria. Lipopolysaccharides consist three covalently linked regions, lipid A, core oligosaccharide, and an O side chain. Lipid A is responsible for the toxicity of the lipopolysaccharide.
GO:0044010 A process in which planktonically growing microorganisms of the same species grow at a liquid-air interface or on a solid substrate under the flow of a liquid and produce extracellular polymers that facilitate matrix formation, resulting in a change in the organisms' growth rate and gene transcription.

Sequence Features

Domain/signature hits from InterPro and related databases.

9 records

Show feature table

Start	End	DB	Term	Name
21	207	CDD	cd00761	Glyco_tranf_GTA_type
14	225	PANTHER	PTHR43685	GLYCOSYLTRANSFERASE
20	179	Pfam	PF00535	Glycosyl transferase family 2
20	179	InterPro	IPR001173	Glycosyltransferase 2-like
17	229	SUPERFAMILY	SSF53448	Nucleotide-diphospho-sugar transferases
17	229	InterPro	IPR029044	Nucleotide-diphospho-sugar transferases
1	254	Gene3D	G3DSA:3.90.550.10	Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A
1	254	InterPro	IPR029044	Nucleotide-diphospho-sugar transferases
1	254	FunFam	G3DSA:3.90.550.10:FF:000263	Probable glycosyl transferase

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 PA0705	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				0.762

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.

55 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
GDD	6YV9	A3MTD6	605.3 Da LogP -4.63 TPSA 331.7	3 viol.	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…`
UD1	5TZE	A0A0H3JPC6	607.4 Da LogP -4.65 TPSA 305.9	3 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@]…`

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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL1817949	Q8KHG4	—	591.4 Da LogP -3.62 TPSA 285.6	3 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O…`
CHEMBL447878	B1B4J9	—	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]…`
NGA	B1B4J9	—	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O`

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
ZINC1042045	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1O`
ZINC16124914	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O`
ZINC2562219	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O`
ZINC3860151	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]…`
ZINC3861733	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O`
ZINC3870075	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]…`
ZINC3870076	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H…`
ZINC3870077	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@…`
ZINC3881902	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@H]1O`
ZINC3983907	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O`
ZINC4096029	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@H]…`
ZINC4096030	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H…`
ZINC4228290	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]…`
ZINC4293686	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O`
ZINC4301186	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]…`
ZINC5227360	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O`
ZINC5883957	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O`
ZINC5883978	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)O[C@@H](CO)[C@H](O)[C@@H]1O`
ZINC895063	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O`
ZINC895331	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O`
ZINC895332	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@H](O)[C@H]1O`
ZINC895508	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1O`
ZINC895509	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H…`
ZINC901459	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]…`
ZINC968143	1.000	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@@H…`
ZINC257346530	0.806	262.3 Da LogP -2.93 TPSA 128.1	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]…`
ZINC257346531	0.806	262.3 Da LogP -2.93 TPSA 128.1	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](NC(C)=O)[C@H](O)O[C@H](CO)[C…`
ZINC4787862	0.806	262.3 Da LogP -2.93 TPSA 128.1	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1…`
ZINC4787865	0.806	262.3 Da LogP -2.93 TPSA 128.1	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@@H](CO)O…`
ZINC34027757	0.774	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1O`
ZINC34027758	0.774	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]…`
ZINC44960087	0.774	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)[C@H](O)O[C@H](CO)[C@H]1O`
ZINC44960088	0.774	221.2 Da LogP -3.08 TPSA 119.3	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)[C@H](CO)O[C@@H](O)[C@H]1O`
ZINC205444277	0.735	223.2 Da LogP -2.10 TPSA 99.0	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](F)[C@@H]…`
ZINC255996057	0.735	223.2 Da LogP -2.10 TPSA 99.0	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)[C@@H](F)[C@@H](CO)O[C@H]1O`
ZINC255996058	0.735	223.2 Da LogP -2.10 TPSA 99.0	✓ Ro5	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](F)[C@@H]1O`
ZINC255996059	0.735	223.2 Da LogP -2.10 TPSA 99.0	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)[C@H](F)[C@@H](CO)O[C@H]1O`
ZINC38917814	0.735	223.2 Da LogP -2.10 TPSA 99.0	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](F)[C@@H]…`
ZINC38917815	0.735	223.2 Da LogP -2.10 TPSA 99.0	✓ Ro5	✓ Clean	`CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](F)[C@@H]1O`
ZINC1569985092	0.730	381.4 Da LogP -4.59 TPSA 189.2	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](C[C@@H]2O…`
ZINC1569985093	0.730	381.4 Da LogP -4.59 TPSA 189.2	1 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)[C@@H](C[C@@H]2O[C@H](CO)…`
ZINC1569985094	0.730	381.4 Da LogP -4.59 TPSA 189.2	1 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)[C@@H](C[C@@H]2O[C@H](CO)…`
ZINC1569985095	0.730	381.4 Da LogP -4.59 TPSA 189.2	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](C[C@@H]2O…`
ZINC13519094	0.718	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@H](CO)…`
ZINC247905451	0.718	424.4 Da LogP -5.11 TPSA 207.3	2 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O[C@@H]2O…`
ZINC247905474	0.718	424.4 Da LogP -5.11 TPSA 207.3	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[…`
ZINC4095478	0.718	424.4 Da LogP -5.11 TPSA 207.3	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)…`
ZINC4095695	0.718	424.4 Da LogP -5.11 TPSA 207.3	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2…`
ZINC83260792	0.718	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[C@H]2O[C@H](CO…`
ZINC87528044	0.718	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[C@@H]2O[C@H](CO…`

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.