Protein profile

VK055_2428

pantoate--beta-alanine ligase

Genome: KpATCC43816

Gene: panC AIK81025.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GID9
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Amino acids 284
Annotations 5
Features 16
PDB binders 4
Druggability 0.431

Overview

Basic information about this protein and its source genome.

Accession
VK055_2428
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
panC AIK81025.1
Status
annotated
Amino acids
284
Structure source
AlphaFold + ColabFold
EC
6.3.2.1
GO
GO:0015940 The chemical reactions and pathways resulting in the formation 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:0004592 Catalysis of the reaction: ATP + (R)-pantoate + beta-alanine = AMP + diphosphate + (R)-pantothenate. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
57.447
DEG E-value
2.05e-116
Localization
Cytoplasmic
ColabFold pLDDT
96.84

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 0.431
Structure A0A0H3GID9
Pocket Pocket 6
P2Rank 0.973
Structure A0A0H3GID9
Pocket Pocket 1
ColabFold model
FPocket 0.681 · Pocket 1
P2Rank 0.968 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 143 / 4744 genomes with a hit
Normalized 0.03

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

4
  • GO:0015940 The chemical reactions and pathways resulting in the formation 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:0004592 Catalysis of the reaction: ATP + (R)-pantoate + beta-alanine = AMP + diphosphate + (R)-pantothenate.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.

Sequence Features

Domain/signature hits from InterPro and related databases.

16 records
Show feature table
Start End DB Term Name
180 282 FunFam G3DSA:3.30.1300.10:FF:000001 Pantothenate synthetase
1 281 SUPERFAMILY SSF52374 Nucleotidylyl transferase
2 280 Hamap MF_00158 Pantothenate synthetase [panC].
2 280 InterPro IPR003721 Pantoate-beta-alanine ligase
180 284 Gene3D G3DSA:3.30.1300.10 -
180 284 InterPro IPR042176 Pantoate-beta-alanine ligase, C-terminal domain
2 279 PANTHER PTHR21299 CYTIDYLATE KINASE/PANTOATE-BETA-ALANINE LIGASE
1 179 FunFam G3DSA:3.40.50.620:FF:000013 Pantothenate synthetase
1 277 CDD cd00560 PanC
1 277 InterPro IPR003721 Pantoate-beta-alanine ligase
1 179 Gene3D G3DSA:3.40.50.620 HUPs
1 179 InterPro IPR014729 Rossmann-like alpha/beta/alpha sandwich fold
3 278 Pfam PF02569 Pantoate-beta-alanine ligase
3 278 InterPro IPR003721 Pantoate-beta-alanine ligase
1 280 NCBIfam TIGR00018 pantoate--beta-alanine ligase
1 280 InterPro IPR003721 Pantoate-beta-alanine ligase

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_A0A0H3GID9
AlphaFold — — full sequence — Viewing
ColabFold VK055_2428
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
6 0.431
1 0.23
8 0.0

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 54.39 0.973

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.

54 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
144
1V8F
Q5SHF5 122.1 Da LogP -1.72 TPSA 60.7 ✓ Ro5 ✓ Clean C[N+](CO)(CO)CO
ANP
5KWV
B4RKE7 506.2 Da LogP -2.06 TPSA 281.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
MLT
3UK2
Q2T095 134.1 Da LogP -1.09 TPSA 94.8 ✓ Ro5 ✓ Clean C([C@H](C(=O)O)O)C(=O)O
PAF
3GUZ
P31663 147.1 Da LogP -1.88 TPSA 80.6 ✓ Ro5 ✓ Clean CC(C)(CO)[C@H](C(=O)[O-])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.