Protein profile

PA1003

transcriptional regulator MvfR

Genome: NC_002516.2

Gene: PA1003 mvfR Structure source: Experimental + AlphaFold UniProt Q9I4X0
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Amino acids 332
Annotations 6
Features 15
PDB binders 8
Druggability 0.873

Overview

Basic information about this protein and its source genome.

Accession
PA1003
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA1003 mvfR
Status
annotated
Amino acids
332
Structure source
Experimental + AlphaFold
GO
GO:0005576 The space external to the outermost structure of a cell. For cells without external protective or external encapsulating structures this refers to space outside of the plasma membrane. This term covers the host cell environment outside an intracellular parasite. GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid). 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:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription. GO:0034762 Any process that modulates the frequency, rate or extent of the directed movement of a solute from one side of a membrane to the other.

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 0.873
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6
  • GO:0005576 The space external to the outermost structure of a cell. For cells without external protective or external encapsulating structures this refers to space outside of the plasma membrane. This term covers the host cell environment outside an intracellular parasite.
  • GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
  • GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
  • 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:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0034762 Any process that modulates the frequency, rate or extent of the directed movement of a solute from one side of a membrane to the other.

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records
Show feature table
Start End DB Term Name
4 61 ProSiteProfiles PS50931 LysR-type HTH domain profile.
4 61 InterPro IPR000847 Transcription regulator HTH, LysR
102 286 CDD cd05466 PBP2_LTTR_substrate
94 309 Gene3D G3DSA:3.40.190.290 -
94 309 FunFam G3DSA:3.40.190.290:FF:000026 Transcriptional regulator MvfR
139 292 Pfam PF03466 LysR substrate binding domain
139 292 InterPro IPR005119 LysR, substrate-binding
3 78 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
3 78 InterPro IPR036390 Winged helix DNA-binding domain superfamily
4 81 Gene3D G3DSA:1.10.10.10 -
4 81 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
1 301 PANTHER PTHR30579 TRANSCRIPTIONAL REGULATOR
6 64 Pfam PF00126 Bacterial regulatory helix-turn-helix protein, lysR family
6 64 InterPro IPR000847 Transcription regulator HTH, LysR
140 296 SUPERFAMILY SSF53850 Periplasmic binding protein-like II

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

12 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
PDB 7QAV
X-ray 2.65 Å A,B
100.0% 1-332
PDBe RCSB PDBj File
Viewing
PDB 7QA0
X-ray 2.67 Å A,B
100.0% 1-332
PDBe RCSB PDBj File
Loaded
PDB 7QA3
X-ray 2.67 Å A,B
100.0% 1-332
PDBe RCSB PDBj File
Loaded
PDB 6YIZ
X-ray 2.16 Å A,B
69.0% 91-319
PDBe RCSB PDBj File
Loaded
PDB 7NBW
X-ray 2.28 Å A
69.0% 91-319
PDBe RCSB PDBj File
Loaded
PDB 6Q7V
X-ray 2.56 Å A,B
69.0% 91-319
PDBe RCSB PDBj File
Loaded
PDB 7P4U
X-ray 2.74 Å A
69.0% 91-319
PDBe RCSB PDBj File
Loaded
PDB 6Q7W
X-ray 2.82 Å A
69.0% 91-319
PDBe RCSB PDBj File
Loaded
PDB 6Q7U
X-ray 3.14 Å A
69.0% 91-319
PDBe RCSB PDBj File
Loaded
PDB 8Q5K
X-ray 2.80 Å A
65.1% 94-309
PDBe RCSB PDBj File
Loaded
PDB 8Q5L
X-ray 2.90 Å A
65.1% 94-309
PDBe RCSB PDBj File
Loaded
PDB 6B8A
X-ray 2.65 Å A,B
60.8% 94-295
PDBe RCSB PDBj File
Loaded
AlphaFold PA1003
AlphaFold — — full sequence — Loaded
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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.

95 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.

Show only:
Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
CZG
6B8A 2.65 Å Open crystal
420.5 Da LogP 4.99 TPSA 110.2 ✓ Ro5 ✓ Clean c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)…
HLH
6Q7U 3.14 Å Open crystal
243.4 Da LogP 4.04 TPSA 32.9 ✓ Ro5 ✓ Clean CCCCCCCC1=CC(=O)c2ccccc2N1
HLK
6Q7V 2.56 Å Open crystal
285.2 Da LogP 3.43 TPSA 50.9 ✓ Ro5 ✓ Clean c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F
HLQ
6Q7W 2.82 Å Open crystal
313.3 Da LogP 3.87 TPSA 50.9 ✓ Ro5 ✓ Clean c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F
OT2
6YIZ 2.16 Å Open crystal
540.6 Da LogP 1.83 TPSA 204.2 1 viol. ✓ Clean c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)…
U7Q
7NBW 2.28 Å Open crystal
294.3 Da LogP 3.70 TPSA 24.9 ✓ Ro5 ✓ Clean c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F

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.