Protein profile
PA1863
molybdenum ABC transporter substrate-binding protein ModA
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA1863
- Gene
- PA1863 modA
- Status
- annotated
- Amino acids
- 251
- Structure source
- Experimental + AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- Periplasmic
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.
MTTRLPQLLLALLASAVSLAASADEVQVAVAANFTAPIQAIAKEFEKDTGHRLVAAYGATGQFYTQIKNGAPFQVFLSADDSTPAKLEQEGEVVPGSRFTYAIGTLALWSPKAGYVDAEGEVLKSGSFRHLSIANPKTAPYGLAATQAMDKLGLAATLGPKLVEGQNISQAYQFVSSGNAELGFVALSQIYKDGKVATGSAWIVPTELHDPIRQDAVILNKGKDNAAAKALVDYLKGAKAAALIKSYGYEL
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
5- GO:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria).
- GO:0046872 Binding to a metal ion.
- GO:0030973 Binding to a molybdate ion (MoO4 2-).
- GO:1901359 Binding to tungstate.
- GO:0015689 The directed movement of molybdate (MoO4 2-) ions into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Molybdate is the bivalent anion derived from molybdic acid.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 7 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 104 | 212 | FunFam | G3DSA:3.40.190.10:FF:000035 | Molybdate ABC transporter substrate-binding protein |
| 25 | 250 | CDD | cd13539 | PBP2_AvModA |
| 25 | 250 | InterPro | IPR044084 | AvModA-like, substrate binding domain |
| 1 | 23 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 1 | 23 | SignalP_GRAM_NEGATIVE | SignalP-noTM | SignalP-noTM |
| 30 | 249 | Gene3D | G3DSA:3.40.190.10 | - |
| 14 | 250 | PANTHER | PTHR30632 | MOLYBDATE-BINDING PERIPLASMIC PROTEIN |
| 26 | 250 | Pfam | PF13531 | Bacterial extracellular solute-binding protein |
| 25 | 250 | SUPERFAMILY | SSF53850 | Periplasmic binding protein-like II |
| 1 | 251 | PIRSF | PIRSF004846 | ModA |
| 1 | 251 | InterPro | IPR005950 | Molybdate ABC transporter, substrate-binding protein |
| 24 | 251 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 105 | 211 | Gene3D | G3DSA:3.40.190.10 | - |
| 1 | 23 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 20 | 23 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 8 | 19 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 31 | 248 | NCBIfam | TIGR01256 | molybdate ABC transporter substrate-binding protein |
| 31 | 248 | InterPro | IPR005950 | Molybdate ABC transporter, substrate-binding protein |
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
4 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
PDB
7T4Z
|
X-ray | 1.78 Å | A,B |
|
Viewing | |
|
PDB
7T50
|
X-ray | 1.90 Å | A,B |
|
Loaded | |
|
PDB
7T5A
|
X-ray | 2.16 Å | A,B |
|
Loaded | |
|
PDB
7T51
|
X-ray | 2.50 Å | A,B |
|
Loaded | |
|
AlphaFold
PA1863
|
AlphaFold | — | — | full sequence | — | Loaded |
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 | 0.651 | ||||||
| 3 | 0.398 |
Pockets (P2RANK)
Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).
| P2RANK | Sticks | Spheres | Surfaces | Score | Probability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|---|
| 1 | 12.47 | 0.652 | ||||||
| 2 | 0.91 | 0.004 |
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 | 0.218 |
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 |
|---|---|---|---|---|---|---|
| CQ4 | P37329 | 116.0 Da LogP -2.62 TPSA 80.3 | ✓ Ro5 | ✓ Clean |
[O-][Cr](=O)(=O)[O-]
|
|
| MOO | P37329 | 159.9 Da LogP -2.62 TPSA 80.3 | ✓ Ro5 | ✓ Clean |
[O-][Mo](=O)(=O)[O-]
|
|
| REO | P37329 | 250.2 Da LogP -1.55 TPSA 74.3 | ✓ Ro5 | ✓ Clean |
[O-][Re](=O)(=O)=O
|
|
| SBT | Q18A64 | 74.1 Da LogP 0.78 TPSA 20.2 | ✓ Ro5 | ✓ Clean |
CC[C@H](C)O
|
|
| WO4 | P37329 | 247.8 Da LogP -2.62 TPSA 80.3 | ✓ Ro5 | ✓ Clean |
[O-][W](=O)(=O)[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).
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.