Amino acids
78
Annotations
7
Features
19
PDB binders
20
Druggability
0.907
Overview
Basic information about this protein and its source genome.
- Accession
- PA2966
- Gene
- acpP1 acpP PA2966
- Status
- annotated
- Amino acids
- 78
- Structure source
- AlphaFold
GO
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0000035 Binding to an acyl group, any group formally derived by removal of the hydroxyl group from the acid function of a carboxylic acid.
GO:0000036 Binding an acyl group and presenting it for processing or offloading to a cognate enzyme. Covalently binds the acyl group via a phosphopantetheine prosthetic group and mediates protein-protein interactions with the enzyme conferring specificity. The acyl carrier protein (ACP) presents substrates to enzymes involved in fatty acid biosynthesis or in polyketide secondary metabolite biosynthesis.
GO:0031177 Binding to phosphopantetheine, the vitamin pantetheine 4'-(dihydrogen phosphate).
GO:0009245 The chemical reactions and pathways resulting in the formation of lipid A, the glycolipid group of bacterial lipopolysaccharides, consisting of four to six fatty acyl chains linked to two glucosamine residues. Further modifications of the backbone are common.
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 51.923
- Human E-value
- 3.35e-13
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- 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
0.907
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
7 GO
Gene Ontology (GO)
7- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0000035 Binding to an acyl group, any group formally derived by removal of the hydroxyl group from the acid function of a carboxylic acid.
- GO:0000036 Binding an acyl group and presenting it for processing or offloading to a cognate enzyme. Covalently binds the acyl group via a phosphopantetheine prosthetic group and mediates protein-protein interactions with the enzyme conferring specificity. The acyl carrier protein (ACP) presents substrates to enzymes involved in fatty acid biosynthesis or in polyketide secondary metabolite biosynthesis.
- GO:0031177 Binding to phosphopantetheine, the vitamin pantetheine 4'-(dihydrogen phosphate).
- GO:0009245 The chemical reactions and pathways resulting in the formation of lipid A, the glycolipid group of bacterial lipopolysaccharides, consisting of four to six fatty acyl chains linked to two glucosamine residues. Further modifications of the backbone are common.
- GO:0006633 The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes.
Sequence Features
Domain/signature hits from InterPro and related databases.
19 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 32 | 47 | ProSitePatterns | PS00012 | Phosphopantetheine attachment site. |
| 32 | 47 | InterPro | IPR006162 | Phosphopantetheine attachment site |
| 1 | 78 | FunFam | G3DSA:1.10.1200.10:FF:000001 | Acyl carrier protein |
| 1 | 76 | NCBIfam | TIGR00517 | acyl carrier protein |
| 1 | 76 | InterPro | IPR003231 | Acyl carrier protein (ACP) |
| 2 | 77 | SUPERFAMILY | SSF47336 | ACP-like |
| 2 | 77 | InterPro | IPR036736 | ACP-like superfamily |
| 5 | 77 | SMART | SM00823 | Phosphopantetheine attachment site |
| 5 | 77 | InterPro | IPR020806 | Polyketide synthase, phosphopantetheine-binding domain |
| 2 | 78 | PANTHER | PTHR20863 | ACYL CARRIER PROTEIN |
| 2 | 78 | InterPro | IPR003231 | Acyl carrier protein (ACP) |
| 3 | 77 | Hamap | MF_01217 | Acyl carrier protein [acpP]. |
| 3 | 77 | InterPro | IPR003231 | Acyl carrier protein (ACP) |
| 6 | 73 | Pfam | PF00550 | Phosphopantetheine attachment site |
| 6 | 73 | InterPro | IPR009081 | Phosphopantetheine binding ACP domain |
| 2 | 77 | ProSiteProfiles | PS50075 | Carrier protein (CP) domain profile. |
| 2 | 77 | InterPro | IPR009081 | Phosphopantetheine binding ACP domain |
| 1 | 78 | Gene3D | G3DSA:1.10.1200.10 | - |
| 1 | 78 | InterPro | IPR036736 | ACP-like 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...
Legend
High
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
PA2966
|
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 | 0.907 |
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.
71 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 |
|---|---|---|---|---|---|---|
| 6W5 | P0A6A8 | 395.3 Da LogP -1.59 TPSA 174.3 | 1 viol. | ✓ Clean |
CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCNC(=O)…
|
|
| 8Q1 | B7MJ81 | 540.7 Da LogP 3.29 TPSA 162.3 | 1 viol. | ✓ Clean |
CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)…
|
|
| 9EF | P0A6A8 | 383.3 Da LogP -1.76 TPSA 174.3 | 1 viol. | ✓ Clean |
CC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)…
|
|
| CAC | P0A6A8 | 137.0 Da LogP -0.52 TPSA 40.1 | ✓ Ro5 | ✓ Clean |
C[As](=O)(C)[O-]
|
|
| DTT | P0A6A8 | 154.3 Da LogP -0.43 TPSA 40.5 | ✓ Ro5 | ✓ Clean |
C([C@@H]([C@H](CS)O)O)S
|
|
| EDT | P0A6A8 | 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
|
|
| ETE | P0A6A8 | 208.3 Da LogP -0.33 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCO
|
|
| G9S | P0A6A8 | 596.8 Da LogP 4.85 TPSA 162.3 | 1 viol. | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)…
|
|
| MLI | O77077 | 102.0 Da LogP -3.12 TPSA 80.3 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(=O)[O-]
|
|
| MRJ | P0A6A8 | 523.6 Da LogP 2.14 TPSA 174.3 | 2 viol. | ✓ Clean |
CCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)…
|
|
| MU4 | P0A6A8 | 579.7 Da LogP 3.70 TPSA 174.3 | 2 viol. | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C…
|
|
| P15 | P0A6A8 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
|
| PM4 | P0A6A8 | 440.5 Da LogP 1.23 TPSA 142.0 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H…
|
|
| PM5 | P0A6A8 | 454.5 Da LogP 1.62 TPSA 142.0 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@…
|
|
| PM8 | P0A6A8 | 496.6 Da LogP 2.80 TPSA 142.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO…
|
|
| PNS | P0A6A8 | 358.4 Da LogP -0.96 TPSA 145.2 | 1 viol. | ✓ Clean |
CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
|
|
| PSR | P0A6A8 | 428.4 Da LogP 0.17 TPSA 162.3 | ✓ Ro5 | ✓ Clean |
CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O…
|
|
| SXM | P0A6A8 | 444.4 Da LogP -1.16 TPSA 199.6 | 1 viol. | ✓ Clean |
CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)…
|
|
| XLN | P0A6A8 | 456.5 Da LogP 0.34 TPSA 162.3 | ✓ Ro5 | ✓ Clean |
CCC/C=C\S(=O)(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C…
|
|
| ZMK | Q0T5U2 | 514.5 Da LogP 0.49 TPSA 188.6 | 1 viol. | ✓ Clean |
CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| FCN | P0A6A8 | — | 138.1 Da LogP -0.09 TPSA 70.1 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](O1)P(=O)(O)O
|
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 |
|---|---|---|---|---|---|
| ZINC1580161 | 1.000 | 208.3 Da LogP -0.33 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCO
|
| ZINC16052118 | 1.000 | 340.4 Da LogP -0.28 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCO
|
| ZINC16052257 | 1.000 | 384.5 Da LogP -0.26 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCO
|
| 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
|
| ZINC34317654 | 1.000 | 472.6 Da LogP -0.23 TPSA 112.5 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC44076059 | 1.000 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5210101 | 1.000 | 252.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCO
|
| ZINC5997860 | 1.000 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
| 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
|
| 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
|
| ZINC575419714 | 0.727 | 312.4 Da LogP 0.42 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCSCCOCCOCCO
|
| 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
|
| ZINC115163232 | 0.700 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCCO
|
| 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
|
| ZINC258837490 | 0.700 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCCO
|
| ZINC12501520 | 0.688 | 458.5 Da LogP -0.88 TPSA 123.5 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1692489 | 0.688 | 222.3 Da LogP 0.33 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOC
|
| ZINC3874716 | 0.688 | 414.5 Da LogP -0.90 TPSA 114.3 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC4283769 | 0.688 | 238.3 Da LogP -0.96 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCO
|
| ZINC4521548 | 0.688 | 282.3 Da LogP -0.95 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCO
|
| ZINC4530388 | 0.688 | 266.3 Da LogP 0.35 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOC
|
| ZINC5178829 | 0.688 | 326.4 Da LogP -0.93 TPSA 95.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5178830 | 0.688 | 370.4 Da LogP -0.91 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5701172 | 0.688 | 310.4 Da LogP 0.36 TPSA 64.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOC
|
| ZINC5997861 | 0.688 | 398.5 Da LogP 0.40 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOC
|
| 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
|
| ZINC575432150 | 0.667 | 344.4 Da LogP -0.89 TPSA 100.5 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCS(=O)(=O)CCOCCOCCO
|
| 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
|
| ZINC1857524240 | 0.652 | 207.3 Da LogP -0.75 TPSA 60.0 | ✓ Ro5 | ✓ Clean |
COCCNCCOCCOCCO
|
| 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
|
| ZINC217755395 | 0.636 | 263.2 Da LogP -1.47 TPSA 147.8 | ✓ Ro5 | ✓ Clean |
O=NN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
|
| ZINC3861663 | 0.619 | 380.4 Da LogP -2.04 TPSA 174.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
|
| ZINC21297783 | 0.609 | 419.4 Da LogP -3.36 TPSA 179.8 | ✓ Ro5 | ✓ Clean |
CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC)CC(=O)O)CC(=…
|
| ZINC5650743 | 0.600 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCO
|
| ZINC6403917 | 0.600 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC139839569 | 0.591 | 207.3 Da LogP -0.18 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
CSCCN(CC(=O)O)CC(=O)O
|
| ZINC1587761 | 0.591 | 246.3 Da LogP 0.19 TPSA 81.1 | ✓ Ro5 | ✓ Clean |
CCN(CC)CCCN(CC(=O)O)CC(=O)O
|
| ZINC4811653 | 0.591 | 261.3 Da LogP 0.49 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCN(CC(=O)O)CC(=O)O
|
| ZINC116078641 | 0.583 | 222.2 Da LogP -0.80 TPSA 74.2 | ✓ Ro5 | ✓ Clean |
COC(=O)COCCOCCOCCO
|
| ZINC202958272 | 0.583 | 236.3 Da LogP -0.41 TPSA 74.2 | ✓ Ro5 | ✓ Clean |
COC(=O)CCOCCOCCOCCO
|
| ZINC34033067 | 0.583 | 335.3 Da LogP -2.48 TPSA 167.7 | ✓ Ro5 | ✓ Clean |
O=C(O)CNCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
|
| ZINC642881862 | 0.583 | 324.4 Da LogP -0.38 TPSA 92.7 | ✓ Ro5 | ✓ Clean |
COC(=O)CCOCCOCCOCCOCCOCCO
|
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.