Protein profile

PA1221

hypothetical protein

Genome: NC_002516.2

Gene: PA1221 Structure source: Experimental + AlphaFold UniProt Q9I4B7
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Amino acids 618
Annotations 8
Features 19
PDB binders 15
Druggability 0.733

Overview

Basic information about this protein and its source genome.

Accession
PA1221
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA1221
Status
annotated
Amino acids
618
Structure source
Experimental + AlphaFold
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0009366 A multienzyme complex usually composed of four proteins, EntB, EntD, EntE and EntF. Plays a role in the enterobactin biosynthesis pathway. GO:0047527 Catalysis of the reaction: ATP + 2,3-dihydroxybenzoate + L-serine = products of ATP breakdown + N-(2,3-dihydroxybenzoyl)-L-serine. GO:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose. GO:0031177 Binding to phosphopantetheine, the vitamin pantetheine 4'-(dihydrogen phosphate).

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
25.269
Human E-value
2.01e-12
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.

FPocket 0.733
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MDSFFRKKAIVRMSQNSLLDLYAHPTVVARFSEMAALHPHREAIRDRFGSVDYRQLLDSAEQLSDYLLEHYPQPGVCLGVYGEYSRESITCLLAILLSGHHYLYIDLKQPAAWNAELCRQVDCRLILDCSTTPTPANGLPCVPVRHLPAAPASVARPCFAADQIAYINFSSGTTGRPKAIACTHAGITRLCLGQSFLAFAPQMRFLVNSPLSFDAATLEIWGALLNGGCCVLNDLGPLDPGVLRQLIGERGADSAWLTASLFNTLVDLDPDCLGGLRQLLTGGDILSVPHVRRALLRHPRLHLVNGYGPTENTTFTCCHVVTDDDLEEDDIPIGKAIAGTAVLLLDEHGQEIAEPDRAGEIVAFGAGLAQGYRNDAARTRASFVELPYRGRLLRAYRTGDRARYDEQGRLRFIGRGDGQVKLNGYRLDLPALEQRFRRQPGILDCALLVRERNGVKQLLCAWTGKADASPQALLRQLPTWQRPHACVRVEALPLTAHGKLDRAALLRRLEEPLERCASALDPDQRGCAQLWSELLGCEVGAADQDFFLCGGNSLLALQLVALCQSAGAGANLGLADLQANSRLDQFSRLLRSHGLAPERLLERAATPEQPLVLSRSAA

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

8 GO

Gene Ontology (GO)

8
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0009366 A multienzyme complex usually composed of four proteins, EntB, EntD, EntE and EntF. Plays a role in the enterobactin biosynthesis pathway.
  • GO:0047527 Catalysis of the reaction: ATP + 2,3-dihydroxybenzoate + L-serine = products of ATP breakdown + N-(2,3-dihydroxybenzoyl)-L-serine.
  • GO:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose.
  • GO:0031177 Binding to phosphopantetheine, the vitamin pantetheine 4'-(dihydrogen phosphate).
  • GO:0043041 Activation of an amino acid for incorporation into a peptide by a nonribosomal process.
  • GO:0009239 The chemical reactions and pathways resulting in the formation of enterobactin, a catechol-derived siderochrome of Enterobacteria; enterobactin (N',N',N''-(2,6,10-trioxo-1,5,9-triacyclodecane-3,7,11-triyl)tris(2,3-dihydroxy)benzamide) is a self-triester of 2,3-dihydroxy-N-benzoyl-L-serine and a product of the shikimate pathway.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
29 505 CDD cd12117 A_NRPS_Srf_like
521 602 Gene3D G3DSA:1.10.1200.10 -
521 602 InterPro IPR036736 ACP-like superfamily
518 594 ProSiteProfiles PS50075 Carrier protein (CP) domain profile.
518 594 InterPro IPR009081 Phosphopantetheine binding ACP domain
529 589 Pfam PF00550 Phosphopantetheine attachment site
529 589 InterPro IPR009081 Phosphopantetheine binding ACP domain
25 598 PANTHER PTHR45527 NONRIBOSOMAL PEPTIDE SYNTHETASE
525 590 SUPERFAMILY SSF47336 ACP-like
525 590 InterPro IPR036736 ACP-like superfamily
33 422 Pfam PF00501 AMP-binding enzyme
33 422 InterPro IPR000873 AMP-dependent synthetase/ligase domain
16 417 Gene3D G3DSA:3.40.50.12780 -
16 417 InterPro IPR042099 ANL, N-terminal domain
418 513 Gene3D G3DSA:3.30.300.30 -
418 513 InterPro IPR045851 AMP-binding enzyme, C-terminal domain superfamily
167 178 ProSitePatterns PS00455 Putative AMP-binding domain signature.
167 178 InterPro IPR020845 AMP-binding, conserved site
23 536 SUPERFAMILY SSF56801 Acetyl-CoA synthetase-like

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

3D visualization script Full viewer

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Structural evidence

2 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
PDB 4DG8
X-ray 2.15 Å A
100.0% 1-618
PDBe RCSB PDBj File
Viewing
PDB 4DG9
X-ray 2.55 Å A
100.0% 1-618
PDBe RCSB PDBj File
Loaded
AlphaFold PA1221
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 0.733

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 41.19 0.965
2 8.37 0.446
3 4.39 0.184

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.

65 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.

Show only:
Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
BU3
4DG8 2.15 Å Open crystal
90.1 Da LogP -0.25 TPSA 40.5 ✓ Ro5 ✓ Clean C[C@H]([C@@H](C)O)O
DG9
4DG9 2.55 Å Open crystal
785.8 Da LogP -2.85 TPSA 336.7 3 viol. ✓ Clean CC(C)[C@H]([C@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]…

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.