Protein profile

VK055_1375

malonyl CoA-acyl carrier protein transacylase

Genome: KpATCC43816

Gene: AIK79998.1 fabD Structure source: AlphaFold + ColabFold UniProt A0A0H3GR66
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Amino acids 292
Annotations 5
Features 17
PDB binders 11
Druggability 0.658

Overview

Basic information about this protein and its source genome.

Accession
VK055_1375
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK79998.1 fabD
Status
annotated
Amino acids
292
Structure source
AlphaFold + ColabFold
EC
2.3.1.39
GO
GO:0004314 Catalysis of the reaction: malonyl-CoA + [acyl-carrier protein] = CoA + malonyl-[acyl-carrier protein]. GO:0016740 Catalysis of the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). Transferase is the systematic name for any enzyme of EC class 2. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. 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.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
33.214
Human E-value
1.64e-36
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
90.722
DEG E-value
0.0
Localization
Cytoplasmic
ColabFold pLDDT
98.07

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 0.658
Structure A0A0H3GR66
Pocket Pocket 7
P2Rank 0.84
Structure A0A0H3GR66
Pocket Pocket 1
ColabFold model
FPocket 0.927 · Pocket 1
P2Rank 0.849 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 298 / 4744 genomes with a hit
Normalized 0.063

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:0004314 Catalysis of the reaction: malonyl-CoA + [acyl-carrier protein] = CoA + malonyl-[acyl-carrier protein].
  • GO:0016740 Catalysis of the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). Transferase is the systematic name for any enzyme of EC class 2.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • 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.

17 records
Show feature table
Start End DB Term Name
7 265 Pfam PF00698 Acyl transferase domain
7 265 InterPro IPR014043 Acyl transferase
1 290 SUPERFAMILY SSF52151 FabD/lysophospholipase-like
1 290 InterPro IPR016035 Acyl transferase/acyl hydrolase/lysophospholipase
1 292 PIRSF PIRSF000446 Mct
1 292 InterPro IPR024925 Malonyl CoA-acyl carrier protein transacylase
1 291 SMART SM00827 Acyl transferase domain in polyketide synthase (PKS) enzymes.
1 291 InterPro IPR014043 Acyl transferase
1 274 NCBIfam TIGR00128 ACP S-malonyltransferase
1 274 InterPro IPR004410 Malonyl CoA-acyl carrier protein transacylase, FabD-type
111 180 SUPERFAMILY SSF55048 Probable ACP-binding domain of malonyl-CoA ACP transacylase
111 180 InterPro IPR016036 Malonyl-CoA ACP transacylase, ACP-binding
1 269 Gene3D G3DSA:3.40.366.10 -
1 269 InterPro IPR001227 Acyl transferase domain superfamily
108 180 Gene3D G3DSA:3.30.70.250 -
108 180 FunFam G3DSA:3.30.70.250:FF:000001 Malonyl CoA-acyl carrier protein transacylase
1 281 PANTHER PTHR42681 MALONYL-COA-ACYL CARRIER PROTEIN TRANSACYLASE, MITOCHONDRIAL

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_A0A0H3GR66
AlphaFold — — full sequence — Viewing
ColabFold VK055_1375
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
7 0.658
1 0.076
13 0.008
14 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 23.43 0.84
2 2.11 0.04
3 0.9 0.004

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.

61 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
8JZ
3HJV
Q9KQH6 116.2 Da LogP 1.35 TPSA 26.3 ✓ Ro5 ✓ Clean CCCCOC(=O)C
9EF
6U0J
P0AAI9 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)…
AE3
2C2N
Q8IVS2 134.2 Da LogP 0.03 TPSA 38.7 ✓ Ro5 ✓ Clean CCOCCOCCO
AE4
2C2N
Q8IVS2 266.3 Da LogP 0.08 TPSA 66.4 ✓ Ro5 ✓ Clean CCOCCOCCOCCOCCOCCO
COZ
2G2Z
P0AAI9 767.5 Da LogP -1.67 TPSA 346.6 3 viol. ✓ Clean CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([…
CXS
3HJV
Q9KQH6 221.3 Da LogP 1.19 TPSA 66.4 ✓ Ro5 ✓ Clean C1CCC(CC1)NCCCS(=O)(=O)O
DXE
2C2N
Q8IVS2 90.1 Da LogP 0.28 TPSA 18.5 ✓ Ro5 ✓ Clean COCCOC
E5U
6L3M
Q8KUH4 134.1 Da LogP -0.83 TPSA 83.8 ✓ Ro5 ✓ Clean COC(C(=O)O)C(=O)O
MLA
2G2Z
P0AAI9 104.1 Da LogP -0.45 TPSA 74.6 ✓ Ro5 ✓ Clean C(C(=O)O)C(=O)O
MLI
2G2Y
P0AAI9 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
NHE
3R97
Q5H4I7 207.3 Da LogP 0.80 TPSA 66.4 ✓ Ro5 ✓ Clean C1CCC(CC1)NCCS(=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.