Protein profile
PA4363
chromosome replication initiation inhibitor protein
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA4363
- Gene
- iciA argP PA4363
- Status
- annotated
- Amino acids
- 300
- Structure source
- AlphaFold
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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
3- 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: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:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 27 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 1 | 7 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 86 | 291 | SUPERFAMILY | SSF53850 | Periplasmic binding protein-like II |
| 1 | 297 | Hamap | MF_00513 | HTH-type transcriptional regulator ArgP [argP]. |
| 1 | 297 | InterPro | IPR023490 | HTH-type transcriptional regulator ArgP, gammaproteobacteria |
| 4 | 292 | NCBIfam | TIGR03298 | ArgP/LysG family DNA-binding transcriptional regulator |
| 4 | 292 | InterPro | IPR017685 | HTH-type transcriptional regulator ArgP |
| 8 | 16 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 79 | 298 | Gene3D | G3DSA:3.40.190.290 | - |
| 7 | 64 | Pfam | PF00126 | Bacterial regulatory helix-turn-helix protein, lysR family |
| 7 | 64 | InterPro | IPR000847 | Transcription regulator HTH, LysR |
| 28 | 300 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 3 | 78 | Gene3D | G3DSA:1.10.10.10 | - |
| 3 | 78 | InterPro | IPR036388 | Winged helix-like DNA-binding domain superfamily |
| 1 | 293 | PANTHER | PTHR30579 | TRANSCRIPTIONAL REGULATOR |
| 21 | 32 | PRINTS | PR00039 | LysR bacterial regulatory protein HTH signature |
| 21 | 32 | InterPro | IPR000847 | Transcription regulator HTH, LysR |
| 32 | 42 | PRINTS | PR00039 | LysR bacterial regulatory protein HTH signature |
| 32 | 42 | InterPro | IPR000847 | Transcription regulator HTH, LysR |
| 42 | 53 | PRINTS | PR00039 | LysR bacterial regulatory protein HTH signature |
| 42 | 53 | InterPro | IPR000847 | Transcription regulator HTH, LysR |
| 3 | 78 | FunFam | G3DSA:1.10.10.10:FF:000061 | HTH-type transcriptional regulator ArgP |
| 4 | 60 | ProSiteProfiles | PS50931 | LysR-type HTH domain profile. |
| 4 | 60 | InterPro | IPR000847 | Transcription regulator HTH, LysR |
| 92 | 279 | Pfam | PF03466 | LysR substrate binding domain |
| 92 | 279 | InterPro | IPR005119 | LysR, substrate-binding |
| 17 | 27 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 3 | 112 | SUPERFAMILY | SSF46785 | Winged helix DNA-binding domain |
| 3 | 112 | InterPro | IPR036390 | Winged helix DNA-binding domain superfamily |
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...
Structural evidence
0 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
PA4363
|
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 | 0.889 | ||||||
| 2 | 0.748 |
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.
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 |
|---|---|---|---|---|---|---|
| P33 | A9CJQ0 | 326.4 Da LogP -0.93 TPSA 95.8 | ✓ Ro5 | ✓ Clean |
C(COCCOCCOCCOCCOCCOCCO)O
|
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 |
|---|---|---|---|---|---|
| ZINC12501520 | 1.000 | 458.5 Da LogP -0.88 TPSA 123.5 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC3874716 | 1.000 | 414.5 Da LogP -0.90 TPSA 114.3 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC4283769 | 1.000 | 238.3 Da LogP -0.96 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCO
|
| ZINC4521548 | 1.000 | 282.3 Da LogP -0.95 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCO
|
| ZINC5178829 | 1.000 | 326.4 Da LogP -0.93 TPSA 95.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5178830 | 1.000 | 370.4 Da LogP -0.91 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC115086873 | 0.688 | 209.2 Da LogP -1.08 TPSA 83.2 | ✓ Ro5 | ✓ Clean |
NOCCOCCOCCOCCO
|
| ZINC137432264 | 0.688 | 457.6 Da LogP -0.91 TPSA 129.3 | 1 viol. | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC146143823 | 0.688 | 237.3 Da LogP -1.00 TPSA 83.2 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCO
|
| ZINC1542984442 | 0.688 | 413.5 Da LogP -0.93 TPSA 120.1 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1565503710 | 0.688 | 254.3 Da LogP -0.03 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCS
|
| ZINC1580161 | 0.688 | 208.3 Da LogP -0.33 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCO
|
| ZINC16052118 | 0.688 | 340.4 Da LogP -0.28 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCO
|
| ZINC16052257 | 0.688 | 384.5 Da LogP -0.26 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1857792028 | 0.688 | 430.6 Da LogP 0.04 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC1857792057 | 0.688 | 474.6 Da LogP 0.06 TPSA 103.3 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC230494776 | 0.688 | 325.4 Da LogP -0.96 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCO
|
| ZINC34317654 | 0.688 | 472.6 Da LogP -0.23 TPSA 112.5 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC38917157 | 0.688 | 210.3 Da LogP -0.04 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCS
|
| ZINC44076059 | 0.688 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5210101 | 0.688 | 252.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCO
|
| ZINC5650743 | 0.688 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCO
|
| ZINC5997860 | 0.688 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
| ZINC6403917 | 0.688 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC77271182 | 0.688 | 281.3 Da LogP -0.98 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCO
|
| ZINC83253921 | 0.688 | 369.5 Da LogP -0.95 TPSA 110.9 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC90741446 | 0.688 | 386.5 Da LogP 0.02 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC90741447 | 0.688 | 298.4 Da LogP -0.01 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCS
|
| ZINC144169243 | 0.647 | 281.3 Da LogP -1.37 TPSA 89.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCNCCOCCOCCO
|
| ZINC205758716 | 0.647 | 457.6 Da LogP -1.31 TPSA 126.3 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCNCCOCCOCCOCCOCCO
|
| ZINC575441396 | 0.647 | 369.5 Da LogP -1.34 TPSA 107.9 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCNCCOCCOCCOCCO
|
| ZINC27644247 | 0.618 | 230.3 Da LogP 0.09 TPSA 111.2 | ✓ Ro5 | ✓ Clean |
CCCCNC(=N)NCCC[C@H](N)C(=O)O
|
| ZINC1644613 | 0.611 | 206.3 Da LogP 0.83 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCOCCOCCOCCO
|
| ZINC258839852 | 0.611 | 276.3 Da LogP 0.61 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCC(F)(F)F
|
| ZINC167715346 | 0.600 | 266.3 Da LogP -0.18 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCCOCCOCCOCCOCCCO
|
| ZINC34160867 | 0.600 | 222.3 Da LogP -0.20 TPSA 68.2 | ✓ Ro5 | ✓ Clean |
OCCCOCCOCCOCCCO
|
| ZINC1580159 | 0.588 | 210.3 Da LogP -0.26 TPSA 58.9 | ✓ Ro5 | ✓ Clean |
OCCOCCSCCOCCO
|
| ZINC196899382 | 0.588 | 228.2 Da LogP -0.14 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCNC(=O)C(F)(F)F)C(=O)O
|
| ZINC4155291 | 0.583 | 216.2 Da LogP -1.37 TPSA 130.8 | ✓ Ro5 | ✓ Clean |
CC(=O)/N=C(\N)NCCC[C@H](N)C(=O)O
|
| ZINC4155299 | 0.583 | 216.2 Da LogP -1.37 TPSA 130.8 | ✓ Ro5 | ✓ Clean |
CC(=O)/N=C(\N)NCCC[C@@H](N)C(=O)O
|
| ZINC142610155 | 0.579 | 340.4 Da LogP -0.84 TPSA 112.9 | ✓ Ro5 | ✓ Clean |
O=C(O)COCCOCCOCCOCCOCCOCCO
|
| ZINC1542984426 | 0.579 | 428.5 Da LogP -0.80 TPSA 131.4 | ✓ Ro5 | ✓ Clean |
O=C(O)COCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC207588231 | 0.579 | 207.3 Da LogP -0.75 TPSA 60.0 | ✓ Ro5 | ✓ Clean |
CNCCOCCOCCOCCO
|
| ZINC258828116 | 0.579 | 452.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC258836919 | 0.579 | 364.4 Da LogP -0.27 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
C#CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC83254085 | 0.579 | 354.4 Da LogP -0.45 TPSA 112.9 | ✓ Ro5 | ✓ Clean |
O=C(O)CCOCCOCCOCCOCCOCCOCCO
|
| ZINC96503366 | 0.579 | 408.5 Da LogP -0.26 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
C#CCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC96503406 | 0.579 | 276.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
C#CCOCCOCCOCCOCCOCCO
|
| ZINC96503425 | 0.579 | 222.2 Da LogP -0.50 TPSA 85.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CCOCCOCCOCCO
|
| ZINC96503526 | 0.579 | 442.5 Da LogP -0.41 TPSA 131.4 | ✓ Ro5 | ✓ Clean |
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCO
|
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.