Protein profile

PA5317

dipeptide ABC transporter substrate-binding protein

Genome: NC_002516.2

Gene: PA5317 Structure source: AlphaFold UniProt Q9HTN7
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Amino acids 526
Annotations 6
Features 19
PDB binders 4
Druggability 0.822

Overview

Basic information about this protein and its source genome.

Accession
PA5317
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA5317
Status
annotated
Amino acids
526
Structure source
AlphaFold
GO
GO:0043190 A complex for the transport of metabolites into and out of the cell, typically comprised of four domains; two membrane-associated domains and two ATP-binding domains at the intracellular face of the membrane, that form a central pore through the plasma membrane. Each of the four core domains may be encoded as a separate polypeptide or the domains can be fused in any one of a number of ways into multidomain polypeptides. In Bacteria and Archaebacteria, ABC transporters also include substrate binding proteins to bind substrate external to the cytoplasm and deliver it to the transporter. GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall. GO:1904680 Enables the transfer of a peptide from one side of a membrane to the other. GO:0042938 The directed movement of a dipeptide, a combination of two amino acids by means of a peptide (-CO-NH-) link, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. GO:0015031 The directed movement of proteins into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. GO:0055085 The process in which a solute is transported across a lipid bilayer, 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
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.

FPocket 0.822
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:0043190 A complex for the transport of metabolites into and out of the cell, typically comprised of four domains; two membrane-associated domains and two ATP-binding domains at the intracellular face of the membrane, that form a central pore through the plasma membrane. Each of the four core domains may be encoded as a separate polypeptide or the domains can be fused in any one of a number of ways into multidomain polypeptides. In Bacteria and Archaebacteria, ABC transporters also include substrate binding proteins to bind substrate external to the cytoplasm and deliver it to the transporter.
  • GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
  • GO:1904680 Enables the transfer of a peptide from one side of a membrane to the other.
  • GO:0042938 The directed movement of a dipeptide, a combination of two amino acids by means of a peptide (-CO-NH-) link, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0015031 The directed movement of proteins into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
3 15 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
16 525 PIRSF PIRSF002741 MppA
16 525 InterPro IPR030678 Peptide/nickel binding protein, MppA-type
285 500 Gene3D G3DSA:3.10.105.10 -
1 21 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
26 509 CDD cd08493 PBP2_DppA_like
66 442 Pfam PF00496 Bacterial extracellular solute-binding proteins, family 5 Middle
66 442 InterPro IPR000914 Solute-binding protein family 5 domain
24 523 SUPERFAMILY SSF53850 Periplasmic binding protein-like II
45 203 Gene3D G3DSA:3.90.76.10 -
1 23 Phobius SIGNAL_PEPTIDE Signal peptide region
8 521 PANTHER PTHR30290 PERIPLASMIC BINDING COMPONENT OF ABC TRANSPORTER
8 521 InterPro IPR039424 Solute-binding protein family 5
24 526 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 21 SignalP_EUK SignalP-noTM SignalP-noTM
204 513 Gene3D G3DSA:3.40.190.10 -
16 23 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
1 2 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
204 291 FunFam G3DSA:3.40.190.10:FF:000036 Dipeptide 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.

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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 PA5317
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 0.822
2 0.378

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.

54 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
EDT
4OES
Q9AL82 292.2 Da LogP -2.07 TPSA 155.7 ✓ Ro5 ✓ Clean C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
G9Z
6HLX
O50260 291.3 Da LogP -3.73 TPSA 158.8 1 viol. ✓ Clean C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C…
GDS
3M8U
B8F653 612.6 Da LogP -3.88 TPSA 317.6 3 viol. ✓ Clean C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)…
MLI
3M8U
B8F653 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]

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.