Amino acids
609
Annotations
8
Features
18
PDB binders
16
Druggability
0.887
Overview
Basic information about this protein and its source genome.
- Accession
- PA1811
- Gene
- PA1811
- Status
- annotated
- Amino acids
- 609
- 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:0042884 The directed movement of microcin, a class of glycine-rich, bactericidal peptides (antibiotics) produced by some enteric bacteria, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
GO:0006857 The directed movement of oligopeptides into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Oligopeptides are molecules that contain a small number (2 to 20) of amino-acid residues connected by peptide linkages.
GO:0015833 The directed movement of peptides, compounds of two or more amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
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
0.887
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
8 GO
Gene Ontology (GO)
8- 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:0042884 The directed movement of microcin, a class of glycine-rich, bactericidal peptides (antibiotics) produced by some enteric bacteria, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
- GO:0006857 The directed movement of oligopeptides into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Oligopeptides are molecules that contain a small number (2 to 20) of amino-acid residues connected by peptide linkages.
- GO:0015833 The directed movement of peptides, compounds of two or more amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another, 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.
18 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 19 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
| 323 | 581 | FunFam | G3DSA:3.10.105.10:FF:000005 | ABC transporter substrate-binding protein |
| 113 | 517 | Pfam | PF00496 | Bacterial extracellular solute-binding proteins, family 5 Middle |
| 113 | 517 | InterPro | IPR000914 | Solute-binding protein family 5 domain |
| 323 | 581 | Gene3D | G3DSA:3.10.105.10 | - |
| 1 | 19 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 26 | 601 | Gene3D | G3DSA:3.40.190.10 | - |
| 1 | 3 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 1 | 601 | PANTHER | PTHR30290 | PERIPLASMIC BINDING COMPONENT OF ABC TRANSPORTER |
| 1 | 601 | InterPro | IPR039424 | Solute-binding protein family 5 |
| 1 | 19 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 38 | 587 | CDD | cd08497 | PBP2_NikA_DppA_OppA_like_14 |
| 20 | 609 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 48 | 603 | SUPERFAMILY | SSF53850 | Periplasmic binding protein-like II |
| 16 | 19 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 1 | 606 | PIRSF | PIRSF002741 | MppA |
| 1 | 606 | InterPro | IPR030678 | Peptide/nickel binding protein, MppA-type |
| 4 | 15 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
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...
Legend
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Medium
Low
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
PA1811
|
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 | 0.887 | ||||||
| 2 | 0.614 |
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.
66 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 |
|---|---|---|---|---|---|---|
| 6RP | P33590 | 192.2 Da LogP 0.21 TPSA 72.9 | ✓ Ro5 | ✓ Clean |
c1cnn(c1)C(C(=O)O)n2cccn2
|
|
| 9YH | P33590 | 448.5 Da LogP 2.60 TPSA 110.5 | ✓ Ro5 | Alert |
COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O
|
|
| 9YK | P33590 | 434.5 Da LogP 2.29 TPSA 121.5 | ✓ Ro5 | Alert |
CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O
|
|
| BHN | P33590 | 388.4 Da LogP 1.57 TPSA 121.5 | ✓ Ro5 | Alert |
c1ccc(c(c1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(…
|
|
| BHR | P33590 | 404.4 Da LogP 1.28 TPSA 141.8 | ✓ Ro5 | Alert |
c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc(c2O)O)CC(=O)O)…
|
|
| BHZ | P33590 | 372.4 Da LogP 1.87 TPSA 101.3 | ✓ Ro5 | Alert |
c1ccc(cc1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=…
|
|
| CMO | P33590 | 28.0 Da LogP -0.04 TPSA 19.9 | ✓ Ro5 | ✓ Clean |
[C-]#[O+]
|
|
| DTD | P33590 | 152.2 Da LogP 0.10 TPSA 40.5 | ✓ Ro5 | ✓ Clean |
C1[C@@H]([C@H](CSS1)O)O
|
|
| DTT | P33590 | 154.3 Da LogP -0.43 TPSA 40.5 | ✓ Ro5 | ✓ Clean |
C([C@@H]([C@H](CS)O)O)S
|
|
| DTU | P33590 | 154.3 Da LogP -0.43 TPSA 40.5 | ✓ Ro5 | ✓ Clean |
C([C@H]([C@H](CS)O)O)S
|
|
| DTV | P33590 | 154.3 Da LogP -0.43 TPSA 40.5 | ✓ Ro5 | ✓ Clean |
C([C@H]([C@@H](CS)O)O)S
|
|
| EDT | P33590 | 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
|
|
| HCT | P33590 | 190.2 Da LogP 0.03 TPSA 111.9 | ✓ Ro5 | ✓ Clean |
C(CC(=O)O)[C@H](CC(=O)O)C(=O)O
|
|
| P4G | C0RL96 | 162.2 Da LogP 1.08 TPSA 27.7 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCC
|
|
| PER | P33590 | 32.0 Da LogP -2.38 TPSA 46.1 | ✓ Ro5 | ✓ Clean |
[O-][O-]
|
|
| PG5 | Q5LRQ9 | 178.2 Da LogP 0.31 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOC
|
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 |
|---|---|---|---|---|---|
| ZINC1692489 | 1.000 | 222.3 Da LogP 0.33 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOC
|
| ZINC19364242 | 1.000 | 292.2 Da LogP -2.07 TPSA 155.7 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
|
| ZINC4530388 | 1.000 | 266.3 Da LogP 0.35 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOC
|
| ZINC5701172 | 1.000 | 310.4 Da LogP 0.36 TPSA 64.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOC
|
| ZINC5997861 | 1.000 | 398.5 Da LogP 0.40 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOC
|
| ZINC19419017 | 0.933 | 393.3 Da LogP -2.68 TPSA 196.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
|
| ZINC22593216 | 0.933 | 494.5 Da LogP -3.30 TPSA 236.8 | 1 viol. | ✓ Clean |
O=C(O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CCN(CC…
|
| ZINC1769289 | 0.765 | 306.3 Da LogP -1.68 TPSA 155.7 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O
|
| ZINC4683946 | 0.765 | 320.3 Da LogP -1.29 TPSA 155.7 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(CCCCN(CC(=O)O)CC(=O)O)CC(=O)O
|
| ZINC1690029 | 0.750 | 204.2 Da LogP 0.42 TPSA 111.9 | ✓ Ro5 | ✓ Clean |
O=C(O)CCC(CCC(=O)O)C(=O)O
|
| ZINC19364891 | 0.737 | 204.2 Da LogP -0.98 TPSA 81.1 | ✓ Ro5 | ✓ Clean |
CN(C)CCN(CC(=O)O)CC(=O)O
|
| ZINC19364892 | 0.737 | 232.3 Da LogP -0.20 TPSA 81.1 | ✓ Ro5 | ✓ Clean |
CCN(CC)CCN(CC(=O)O)CC(=O)O
|
| ZINC19366122 | 0.737 | 278.3 Da LogP -2.16 TPSA 138.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(CCO)CCN(CC(=O)O)CC(=O)O
|
| ZINC33806192 | 0.737 | 320.3 Da LogP -1.29 TPSA 155.7 | ✓ Ro5 | ✓ Clean |
O=C(O)CCN(CCC(=O)O)CCN(CC(=O)O)CC(=O)O
|
| ZINC5908834 | 0.737 | 379.3 Da LogP -2.09 TPSA 196.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(CCN(CCN(CC(=O)O)CC(=O)O)C(=O)O)CC(=O)O
|
| ZINC34764844 | 0.733 | 206.3 Da LogP 1.09 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
CCCOCCOCCOCCOC
|
| ZINC2527900 | 0.722 | 205.2 Da LogP -1.07 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCN(CC(=O)O)CC(=O)O
|
| ZINC4261886 | 0.722 | 348.4 Da LogP -0.51 TPSA 155.7 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(CCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O
|
| ZINC149813449 | 0.700 | 278.2 Da LogP -1.48 TPSA 155.7 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(CCN(CC(=O)O)C(=O)O)CC(=O)O
|
| ZINC140264883 | 0.688 | 223.3 Da LogP -0.43 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCON
|
| ZINC143705779 | 0.688 | 443.5 Da LogP -0.34 TPSA 118.3 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCON
|
| 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
|
| ZINC33358855 | 0.688 | 207.3 Da LogP -0.36 TPSA 62.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCN
|
| ZINC34317654 | 0.688 | 472.6 Da LogP -0.23 TPSA 112.5 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC44076059 | 0.688 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC44583772 | 0.688 | 356.5 Da LogP 0.66 TPSA 64.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCS
|
| ZINC5024003 | 0.688 | 251.3 Da LogP -0.34 TPSA 72.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCN
|
| ZINC5210101 | 0.688 | 252.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCO
|
| ZINC575432090 | 0.688 | 355.4 Da LogP -0.38 TPSA 99.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCON
|
| ZINC575432265 | 0.688 | 399.5 Da LogP -0.36 TPSA 109.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCON
|
| ZINC5997860 | 0.688 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
| ZINC71254558 | 0.688 | 444.6 Da LogP 0.70 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC71254563 | 0.688 | 488.6 Da LogP 0.71 TPSA 92.3 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC80685077 | 0.688 | 427.5 Da LogP -0.28 TPSA 109.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCN
|
| ZINC83253927 | 0.688 | 400.5 Da LogP 0.68 TPSA 73.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC83253930 | 0.688 | 224.3 Da LogP 0.61 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCS
|
| ZINC83253936 | 0.688 | 383.5 Da LogP -0.29 TPSA 99.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCN
|
| ZINC90556279 | 0.688 | 295.4 Da LogP -0.33 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCN
|
| ZINC90556280 | 0.688 | 339.4 Da LogP -0.31 TPSA 90.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCN
|
| ZINC90556286 | 0.688 | 312.4 Da LogP 0.65 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCS
|
| ZINC90556287 | 0.688 | 268.4 Da LogP 0.63 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCS
|
| ZINC96503353 | 0.688 | 471.6 Da LogP -0.26 TPSA 118.3 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
|
| ZINC22576460 | 0.684 | 320.3 Da LogP -1.29 TPSA 155.7 | ✓ Ro5 | ✓ Clean |
O=C(O)CCN(CCN(CCC(=O)O)CC(=O)O)CC(=O)O
|
| ZINC90669676 | 0.667 | 377.4 Da LogP -2.57 TPSA 176.0 | ✓ Ro5 | ✓ Clean |
O=CCN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
|
| ZINC22052182 | 0.650 | 336.3 Da LogP -2.05 TPSA 164.9 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(CCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
|
| ZINC218810670 | 0.647 | 308.4 Da LogP 1.52 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCOCCOCCOCCOCCOCCOC
|
| ZINC34303570 | 0.647 | 264.4 Da LogP 1.50 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
CCCCOCCOCCOCCOCCOC
|
| ZINC5701149 | 0.647 | 221.3 Da LogP -0.10 TPSA 49.0 | ✓ Ro5 | ✓ Clean |
COCCOCCNCCOCCOC
|
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.