Protein profile

KP13_00184

Coenzyme A biosynthesis bifunctional protein coaBC

Genome: KpKP13

Gene: AHE42099.1 coaBC Structure source: AlphaFold + ColabFold UniProt A0A0H3GUS9
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Amino acids 405
Annotations 8
Features 19
PDB binders 3
Druggability 0.698

Overview

Basic information about this protein and its source genome.

Accession
KP13_00184
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE42099.1 coaBC
Status
annotated
Amino acids
405
Structure source
AlphaFold + ColabFold
GO
GO:0015941 The chemical reactions and pathways resulting in the breakdown of pantothenate, the anion of pantothenic acid. It is a B complex vitamin that is a constituent of coenzyme A and is distributed ubiquitously in foods. GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes. GO:0004633 Catalysis of the reaction: N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate + H+ = CO2 + pantetheine 4'-phosphate. GO:0015937 The chemical reactions and pathways resulting in the formation of coenzyme A, 3'-phosphoadenosine-(5')diphospho(4')pantatheine, an acyl carrier in many acylation and acyl-transfer reactions in which the intermediate is a thiol ester. 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:0004632 Catalysis of the reaction: CTP + (R)-4'-phosphopantothenate + L-cysteine = CMP + diphosphate + (R)-4'-phosphopantothenoyl-L-cysteine. Cysteine can be replaced by some of its derivatives.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
32.571
Human E-value
1.22e-17
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
90.172
DEG E-value
0.0
Localization
CytoplasmicMembrane
ColabFold pLDDT
93.46

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 0.698
Structure A0A0H3GUS9
Pocket Pocket 17
P2Rank 0.868
Structure A0A0H3GUS9
Pocket Pocket 1
ColabFold model
FPocket 0.915 · Pocket 5
P2Rank 0.726 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 176 / 4744 genomes with a hit
Normalized 0.037

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:0015941 The chemical reactions and pathways resulting in the breakdown of pantothenate, the anion of pantothenic acid. It is a B complex vitamin that is a constituent of coenzyme A and is distributed ubiquitously in foods.
  • GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.
  • GO:0004633 Catalysis of the reaction: N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate + H+ = CO2 + pantetheine 4'-phosphate.
  • GO:0015937 The chemical reactions and pathways resulting in the formation of coenzyme A, 3'-phosphoadenosine-(5')diphospho(4')pantatheine, an acyl carrier in many acylation and acyl-transfer reactions in which the intermediate is a thiol ester.
  • 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:0004632 Catalysis of the reaction: CTP + (R)-4'-phosphopantothenate + L-cysteine = CMP + diphosphate + (R)-4'-phosphopantothenoyl-L-cysteine. Cysteine can be replaced by some of its derivatives.
  • GO:0071513 A protein complex that catalyzes decarboxylation of 4'-phosphopantothenoylcysteine to yield 4'-phosphopantetheine; this is the third step in the biosynthesis of Coenzyme A. The complex is homotrimeric in many eukaryotes, but is a heterotrimer in Saccharomyces.
  • GO:0046872 Binding to a metal ion.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
7 398 Hamap MF_02225 Coenzyme A biosynthesis bifunctional protein CoaBC [coaBC].
7 398 InterPro IPR005252 Coenzyme A biosynthesis bifunctional protein CoaBC
187 405 FunFam G3DSA:3.40.50.10300:FF:000001 Coenzyme A biosynthesis bifunctional protein CoaBC
186 400 SUPERFAMILY SSF102645 CoaB-like
186 400 InterPro IPR035929 CoaB-like superfamily
1 186 FunFam G3DSA:3.40.50.1950:FF:000002 Coenzyme A biosynthesis bifunctional protein CoaBC
189 370 Pfam PF04127 DNA / pantothenate metabolism flavoprotein
189 370 InterPro IPR007085 DNA/pantothenate metabolism flavoprotein, C-terminal
6 262 PANTHER PTHR14359 HOMO-OLIGOMERIC FLAVIN CONTAINING CYS DECARBOXYLASE FAMILY
187 405 Gene3D G3DSA:3.40.50.10300 -
187 405 InterPro IPR035929 CoaB-like superfamily
4 396 NCBIfam TIGR00521 bifunctional phosphopantothenoylcysteine decarboxylase/phosphopantothenate--cysteine ligase CoaBC
4 396 InterPro IPR005252 Coenzyme A biosynthesis bifunctional protein CoaBC
1 186 Gene3D G3DSA:3.40.50.1950 -
1 186 InterPro IPR036551 Flavin prenyltransferase-like
7 180 Pfam PF02441 Flavoprotein
7 180 InterPro IPR003382 Flavoprotein
3 181 SUPERFAMILY SSF52507 Homo-oligomeric flavin-containing Cys decarboxylases, HFCD
3 181 InterPro IPR036551 Flavin prenyltransferase-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

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_A0A0H3GUS9
AlphaFold — — full sequence — Viewing
ColabFold KP13_00184
ColabFold — — 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
17 0.698

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 15.61 0.757
2 2.83 0.088
3 2.61 0.075
4 2.04 0.045
5 1.66 0.028

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.

53 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
N9N
6THC
A0QWT2 246.2 Da LogP 1.74 TPSA 98.0 ✓ Ro5 Alert c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O
PCO
1MVN
Q9SWE5 276.4 Da LogP -0.61 TPSA 98.7 ✓ Ro5 ✓ Clean CC(C)(CO)[C@H](C(=O)NCCC(=O)N\C=C/S)O
PMT
1U7Z
P0ABQ0 604.4 Da LogP -2.89 TPSA 299.5 3 viol. ✓ Clean CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=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.