Protein profile

KP13_31893

Enterobactin synthase component F

Genome: KpKP13

Gene: entF AHE45784.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GL78
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Amino acids 1293
Annotations 8
Features 45
PDB binders 9
Druggability 0.174

Overview

Basic information about this protein and its source genome.

Accession
KP13_31893
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
entF AHE45784.1
Status
annotated
Amino acids
1293
Structure source
AlphaFold + ColabFold
GO
GO:0009058 A cellular process consisting of the biochemical pathways by which a living organism synthesizes chemical substances. This typically represents the energy-requiring part of metabolism in which simpler substances are transformed into more complex ones. GO:0031177 Binding to phosphopantetheine, the vitamin pantetheine 4'-(dihydrogen phosphate). GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic. 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.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
28.906
Human E-value
3.75e-06
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
CytoplasmicMembrane
ColabFold pLDDT
88.09

Selected Druggability evidence

AlphaFold / UniProt model

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 0.174
Structure A0A0H3GL78
Pocket Pocket 84
P2Rank 0.98
Structure A0A0H3GL78
Pocket Pocket 1
ColabFold model
FPocket 0.936 · Pocket 71
P2Rank 0.987 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 69 / 4744 genomes with a hit
Normalized 0.015

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:0009058 A cellular process consisting of the biochemical pathways by which a living organism synthesizes chemical substances. This typically represents the energy-requiring part of metabolism in which simpler substances are transformed into more complex ones.
  • GO:0031177 Binding to phosphopantetheine, the vitamin pantetheine 4'-(dihydrogen phosphate).
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
  • 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: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.

45 records
Show feature table
Start End DB Term Name
965 1293 Gene3D G3DSA:3.40.50.1820 alpha/beta hydrolase
965 1293 InterPro IPR029058 Alpha/Beta hydrolase fold
190 426 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
7 206 Gene3D G3DSA:3.30.559.10 -
7 206 InterPro IPR023213 Chloramphenicol acetyltransferase-like domain superfamily
245 1051 PANTHER PTHR45527 NONRIBOSOMAL PEPTIDE SYNTHETASE
422 964 SUPERFAMILY SSF56801 Acetyl-CoA synthetase-like
856 961 Gene3D G3DSA:3.30.300.30 -
856 961 InterPro IPR045851 AMP-binding enzyme, C-terminal domain superfamily
3 442 Pfam PF00668 Condensation domain
3 442 InterPro IPR001242 Condensation domain
216 450 Gene3D G3DSA:3.30.559.30 Nonribosomal peptide synthetase, condensation domain
970 1041 SUPERFAMILY SSF47336 ACP-like
970 1041 InterPro IPR036736 ACP-like superfamily
1070 1292 SMART SM00824 Thioesterase
1070 1292 InterPro IPR020802 Polyketide synthase, thioesterase domain
775 852 FunFam G3DSA:2.30.38.10:FF:000002 Enterobactin synthase component F
1000 1015 ProSitePatterns PS00012 Phosphopantetheine attachment site.
1000 1015 InterPro IPR006162 Phosphopantetheine attachment site
593 774 FunFam G3DSA:3.40.50.980:FF:000002 Enterobactin synthetase component F
482 885 NCBIfam TIGR01733 amino acid adenylation domain
482 885 InterPro IPR010071 Amino acid adenylation domain
459 957 CDD cd17646 A_NRPS_AB3403-like
775 852 Gene3D G3DSA:2.30.38.10 Luciferase; Domain 3
883 951 Pfam PF13193 AMP-binding enzyme C-terminal domain
883 951 InterPro IPR025110 AMP-binding enzyme, C-terminal domain
462 862 Pfam PF00501 AMP-binding enzyme
462 862 InterPro IPR000873 AMP-dependent synthetase/ligase domain
856 964 FunFam G3DSA:3.30.300.30:FF:000010 Enterobactin synthetase component F
9 183 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
979 1041 Pfam PF00550 Phosphopantetheine attachment site
979 1041 InterPro IPR009081 Phosphopantetheine binding ACP domain
483 615 Gene3D G3DSA:3.40.50.980 -
600 611 ProSitePatterns PS00455 Putative AMP-binding domain signature.
600 611 InterPro IPR020845 AMP-binding, conserved site
970 1045 ProSiteProfiles PS50075 Carrier protein (CP) domain profile.
970 1045 InterPro IPR009081 Phosphopantetheine binding ACP domain
976 1045 SMART SM00823 Phosphopantetheine attachment site
976 1045 InterPro IPR020806 Polyketide synthase, phosphopantetheine-binding domain
465 774 Gene3D G3DSA:3.40.50.980 -
1068 1284 Pfam PF00975 Thioesterase domain
1068 1284 InterPro IPR001031 Thioesterase
455 855 FunFam G3DSA:3.40.50.12780:FF:000012 Non-ribosomal peptide synthetase
1050 1292 SUPERFAMILY SSF53474 alpha/beta-Hydrolases
1050 1292 InterPro IPR029058 Alpha/Beta hydrolase fold

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 + 2

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

Entry Method Resolution Chain Coverage Links Status
AlphaFold AF_A0A0H3GL78
AlphaFold — — full sequence — Viewing
ColabFold KP13_31893
ColabFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

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 39.27 0.962
2 19.84 0.846
3 11.1 0.595
4 5.92 0.29
5 5.68 0.275

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.

59 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
5FQ
5DUA
Q9Z4X6 158.2 Da LogP 0.64 TPSA 55.1 ✓ Ro5 ✓ Clean CCCCCNC(=O)[C@H](C)N
75C
5JA1
P11454 773.8 Da LogP -4.51 TPSA 356.9 3 viol. ✓ Clean CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H]…
BU9
5JA2
P11454 90.1 Da LogP -0.25 TPSA 40.5 ✓ Ro5 ✓ Clean C[C@H]([C@H](C)O)O
FLC
6P1J
A0A0B5H0S3 189.1 Da LogP -5.25 TPSA 140.6 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
KFG
6N8E
A0A5H1ZR44 126.0 Da LogP 0.38 TPSA 55.8 ✓ Ro5 ✓ Clean COP(=O)(O)OC
KFJ
6N8E
A0A5H1ZR44 240.2 Da LogP -0.09 TPSA 126.7 ✓ Ro5 ✓ Clean c1cc(ccc1C[C@H]([C@@H](C(=O)O)N)O)[N+](=O)[O-]
PNS
6N8E
A0A5H1ZR44 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
SRP
6EA3
Q47NS0 434.3 Da LogP -2.99 TPSA 238.4 2 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
UM2
5DU9
Q9Z4X6 144.2 Da LogP 0.25 TPSA 55.1 ✓ Ro5 ✓ Clean CCCCNC(=O)[C@H](C)N

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.