Protein profile

VK055_4299

amino-acid N-acetyltransferase

Genome: KpATCC43816

Gene: AIK82844.1 argA Structure source: AlphaFold + ColabFold UniProt A0A0H3GX20
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Amino acids 442
Annotations 6
Features 25
PDB binders 18
Druggability 0.919

Overview

Basic information about this protein and its source genome.

Accession
VK055_4299
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK82844.1 argA
Status
annotated
Amino acids
442
Structure source
AlphaFold + ColabFold
EC
2.3.1.1
GO
GO:0016747 Catalysis of the transfer of an acyl group, other than amino-acyl, from one compound (donor) to another (acceptor). GO:0006526 The chemical reactions and pathways resulting in the formation of arginine, 2-amino-5-(carbamimidamido)pentanoic acid. GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0004042 Catalysis of the reaction: L-glutamate + acetyl-CoA = N-acetyl-L-glutamate + CoA + H+. GO:0004358 Catalysis of the reaction: N2-acetyl-L-ornithine + L-glutamate = N-acetyl-L-glutamate + L-ornithine.

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 (%)
51.724
DEG E-value
5.48e-163
Localization
Cytoplasmic
ColabFold pLDDT
92.84

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 0.919
Structure A0A0H3GX20
Pocket Pocket 1
P2Rank 0.669
Structure A0A0H3GX20
Pocket Pocket 1
ColabFold model
FPocket 0.448 · Pocket 5
P2Rank 0.749 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 140 / 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 5 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

5
  • GO:0016747 Catalysis of the transfer of an acyl group, other than amino-acyl, from one compound (donor) to another (acceptor).
  • GO:0006526 The chemical reactions and pathways resulting in the formation of arginine, 2-amino-5-(carbamimidamido)pentanoic acid.
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0004042 Catalysis of the reaction: L-glutamate + acetyl-CoA = N-acetyl-L-glutamate + CoA + H+.
  • GO:0004358 Catalysis of the reaction: N2-acetyl-L-ornithine + L-glutamate = N-acetyl-L-glutamate + L-ornithine.

Sequence Features

Domain/signature hits from InterPro and related databases.

25 records
Show feature table
Start End DB Term Name
295 442 Gene3D G3DSA:3.40.630.30 -
228 417 SUPERFAMILY SSF55729 Acyl-CoA N-acyltransferases (Nat)
228 417 InterPro IPR016181 Acyl-CoA N-acyltransferase
1 441 PIRSF PIRSF000423 ArgA
1 441 InterPro IPR010167 Amino-acid N-acetyltransferase
6 293 Gene3D G3DSA:3.40.1160.10 -
6 293 InterPro IPR036393 Acetylglutamate kinase-like superfamily
4 290 SUPERFAMILY SSF53633 Carbamate kinase-like
4 290 InterPro IPR036393 Acetylglutamate kinase-like superfamily
336 398 CDD cd04301 NAT_SF
8 441 NCBIfam TIGR01890 amino-acid N-acetyltransferase
8 441 InterPro IPR010167 Amino-acid N-acetyltransferase
7 289 CDD cd04237 AAK_NAGS-ABP
7 289 InterPro IPR033719 N-acetylglutamate synthase, kinase-like domain
295 442 ProSiteProfiles PS51186 Gcn5-related N-acetyltransferase (GNAT) domain profile.
295 442 InterPro IPR000182 GNAT domain
1 441 Hamap MF_01105 Amino-acid acetyltransferase [argA].
335 412 Pfam PF00583 Acetyltransferase (GNAT) family
335 412 InterPro IPR000182 GNAT domain
6 293 FunFam G3DSA:3.40.1160.10:FF:000005 Amino-acid acetyltransferase
25 267 Pfam PF00696 Amino acid kinase family
25 267 InterPro IPR001048 Aspartate/glutamate/uridylate kinase
244 441 PANTHER PTHR30602 AMINO-ACID ACETYLTRANSFERASE
244 441 InterPro IPR010167 Amino-acid N-acetyltransferase
295 441 FunFam G3DSA:3.40.630.30:FF:000009 Amino-acid acetyltransferase

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_A0A0H3GX20
AlphaFold — — full sequence — Viewing
ColabFold VK055_4299
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
1 0.919

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 8.61 0.46
2 7.63 0.403
3 4.04 0.162
4 1.77 0.033
5 1.64 0.027

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.

68 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
14N
7NLT
P9WQ01 220.3 Da LogP 1.14 TPSA 43.8 ✓ Ro5 ✓ Clean CN1CCN(CC1)c2ccc(cc2)C(=O)O
5RN
7NLU
P9WQ01 159.2 Da LogP 2.37 TPSA 32.9 ✓ Ro5 ✓ Clean CC(=O)c1c[nH]c2c1cccc2
97Q
7NNB
P9WQ01 281.2 Da LogP 3.98 TPSA 33.1 ✓ Ro5 ✓ Clean c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O
97T
7NLQ
P9WQ01 161.2 Da LogP 2.05 TPSA 46.3 ✓ Ro5 ✓ Clean c1ccc(c(c1)c2ccno2)O
97W
7NLX
P9WQ01 213.2 Da LogP 2.96 TPSA 33.1 ✓ Ro5 ✓ Clean c1cc2c(ccnc2cc1C(F)(F)F)O
98K
7NLY
P9WQ01 152.6 Da LogP 2.22 TPSA 28.7 ✓ Ro5 ✓ Clean c1ccc2c(c1)[nH]c(n2)Cl
98Q
7NLZ
P9WQ01 215.2 Da LogP 3.20 TPSA 25.0 ✓ Ro5 ✓ Clean COc1cc2cc[nH]c2cc1C(F)(F)F
98T
7NLS
P9WQ01 278.0 Da LogP 1.78 TPSA 46.5 ✓ Ro5 ✓ Clean COC(=O)c1ccc(c(c1)I)O
98W
7NN7
P9WQ01 210.2 Da LogP 0.97 TPSA 72.8 ✓ Ro5 ✓ Clean COC(=O)c1cc(cc(c1)O)C(=O)OC
98Z
7NN8
P9WQ01 142.2 Da LogP 2.04 TPSA 39.6 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)C#N
9EQ
7NM0
P9WQ01 152.1 Da LogP 1.30 TPSA 57.5 ✓ Ro5 ✓ Clean CC(=O)c1c(cccc1O)O
GGB
7NLP
P9WQ01 176.2 Da LogP -1.80 TPSA 134.5 ✓ Ro5 ✓ Clean [H]/N=C(\N)/NOCC[C@@H](C(=O)O)N
MLI
3ZZH
Q01217 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
NHE
7NLO
P9WQ01 207.3 Da LogP 0.80 TPSA 66.4 ✓ Ro5 ✓ Clean C1CCC(CC1)NCCS(=O)(=O)O
NLG
2JJ4
Q6V1L5 189.2 Da LogP -0.56 TPSA 103.7 ✓ Ro5 ✓ Clean CC(=O)N[C@@H](CCC(=O)O)C(=O)O
PIY
7NLR
P9WQ01 144.2 Da LogP 2.08 TPSA 28.7 ✓ Ro5 ✓ Clean c1ccc(cc1)c2[nH]ccn2
UOK
7NLW
P9WQ01 186.2 Da LogP 2.24 TPSA 48.8 ✓ Ro5 ✓ Clean COc1ccc2c(c1)c(c[nH]2)CC#N
X2W
4USJ
Q9SCL7 269.1 Da LogP -1.01 TPSA 150.2 ✓ Ro5 ✓ Clean CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=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.