Protein profile

HT085_RS00130

amino-acid N-acetyltransferase

Genome: NZ_AP023069.1

Gene: argA E8M63_03395 TUM19854C_00220 N776_09210 NGK_0035 Structure source: AlphaFold

Export view

Amino acids 436

Annotations 5

Features 23

PDB binders 20

Overview

Basic information about this protein and its source genome.

Accession: HT085_RS00130
Assembly: Neisseria gonorrhoeae strain TUM19854 chromosome, complete genome
Gene: argA E8M63_03395 TUM19854C_00220 N776_09210 NGK_0035
Status: annotated
Amino acids: 436
Structure source: AlphaFold

2.3.1.1

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

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Cytoplasmic

Selected Druggability evidence

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 High

Structure –

Pocket –

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)

2.3.1.1

Gene Ontology (GO)

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

Sequence Features

Domain/signature hits from InterPro and related databases.

23 records

Show feature table

Start	End	DB	Term	Name
287	436	ProSiteProfiles	PS51186	Gcn5-related N-acetyltransferase (GNAT) domain profile.
287	436	InterPro	IPR000182	GNAT domain
1	434	Hamap	MF_01105	Amino-acid acetyltransferase [argA].
1	434	InterPro	IPR010167	Amino-acid N-acetyltransferase
26	260	Pfam	PF00696	Amino acid kinase family
26	260	InterPro	IPR001048	Aspartate/glutamate/uridylate kinase
7	281	CDD	cd04237	AAK_NAGS-ABP
7	281	InterPro	IPR033719	N-acetylglutamate synthase, kinase-like domain
287	436	Gene3D	G3DSA:3.40.630.30	-
6	283	SUPERFAMILY	SSF53633	Carbamate kinase-like
6	283	InterPro	IPR036393	Acetylglutamate kinase-like superfamily
7	434	NCBIfam	TIGR01890	amino-acid N-acetyltransferase
7	434	InterPro	IPR010167	Amino-acid N-acetyltransferase
1	434	PIRSF	PIRSF000423	ArgA
287	411	SUPERFAMILY	SSF55729	Acyl-CoA N-acyltransferases (Nat)
287	411	InterPro	IPR016181	Acyl-CoA N-acyltransferase
317	391	Pfam	PF00583	Acetyltransferase (GNAT) family
317	391	InterPro	IPR000182	GNAT domain
5	286	Gene3D	G3DSA:3.40.1160.10	-
5	286	InterPro	IPR036393	Acetylglutamate kinase-like superfamily
330	389	CDD	cd04301	NAT_SF
242	434	PANTHER	PTHR30602	AMINO-ACID ACETYLTRANSFERASE
242	434	InterPro	IPR010167	Amino-acid N-acetyltransferase

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

Loading 3D structure...

Legend High Medium Low

Structural evidence

0 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold HT085_RS00130	AlphaFold	—	—	full sequence	—	Viewing

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
11				0.744
1				0.315
7				0.286

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	Score	Probability
1	19.6	0.778
2	16.61	0.705
3	12.92	0.585
4	5.49	0.216
5	2.29	0.047

Ligand evidence

Ligands grouped by evidence source — prioritize those reported for this exact protein.

70 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein in the Protein Data Bank.

No PDB structure with a co-crystallized ligand found for this exact protein.

Structural evidence inferred from similar proteins. The UniProt column identifies the protein that carried the ligand in PDB.

Ligand	PDB structure	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`
CAD	5yge	O33289	138.0 Da LogP 0.11 TPSA 37.3	✓ Ro5	✓ Clean	`C[As](=O)(C)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	3b8g	Q5FAK7	189.2 Da LogP -0.56 TPSA 103.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](CCC(=O)O)C(=O)O`
NLQ	6add	O33289	188.2 Da LogP -1.16 TPSA 109.5	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](CCC(=O)N)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`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC158905	1.000	220.3 Da LogP 1.14 TPSA 43.8	✓ Ro5	✓ Clean	`CN1CCN(c2ccc(C(=O)O)cc2)CC1`
ZINC1710230	1.000	207.3 Da LogP 0.80 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCNC1CCCCC1`
ZINC2548331	1.000	278.0 Da LogP 1.78 TPSA 46.5	✓ Ro5	✓ Clean	`COC(=O)c1ccc(O)c(I)c1`
ZINC32327	1.000	210.2 Da LogP 0.97 TPSA 72.8	✓ Ro5	✓ Clean	`COC(=O)c1cc(O)cc(C(=O)OC)c1`
ZINC34503706	1.000	215.2 Da LogP 3.20 TPSA 25.0	✓ Ro5	✓ Clean	`COc1cc2cc[nH]c2cc1C(F)(F)F`
ZINC8830538	1.000	281.2 Da LogP 3.98 TPSA 33.1	✓ Ro5	✓ Clean	`Oc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12`
ZINC89202735	0.913	220.3 Da LogP 3.74 TPSA 28.7	✓ Ro5	✓ Clean	`c1ccc(-c2ccc(-c3ncc[nH]3)cc2)cc1`
ZINC12370640	0.862	234.3 Da LogP 1.53 TPSA 43.8	✓ Ro5	✓ Clean	`CN1CCCN(c2ccc(C(=O)O)cc2)CC1`
ZINC1532510	0.821	304.3 Da LogP -1.60 TPSA 170.1	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=…`
ZINC1532511	0.821	304.3 Da LogP -1.60 TPSA 170.1	✓ Ro5	✓ Clean	`CC(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O…`
ZINC1532512	0.821	304.3 Da LogP -1.60 TPSA 170.1	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O…`
ZINC1532513	0.821	304.3 Da LogP -1.60 TPSA 170.1	✓ Ro5	✓ Clean	`CC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)O`
ZINC56412	0.800	252.2 Da LogP 1.05 TPSA 78.9	✓ Ro5	✓ Clean	`COC(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1`
ZINC2504638	0.793	304.3 Da LogP -1.60 TPSA 170.1	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=…`
ZINC4534089	0.793	304.3 Da LogP -1.60 TPSA 170.1	✓ Ro5	✓ Clean	`CC(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O…`
ZINC4534090	0.793	304.3 Da LogP -1.60 TPSA 170.1	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O…`
ZINC4534091	0.793	304.3 Da LogP -1.60 TPSA 170.1	✓ Ro5	✓ Clean	`CC(=O)N[C@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O`
ZINC2004372	0.786	221.3 Da LogP 1.19 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCNC1CCCCC1`
ZINC38364153	0.786	235.3 Da LogP 1.58 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCCNC1CCCCC1`
ZINC169847	0.759	218.3 Da LogP 1.64 TPSA 23.6	✓ Ro5	✓ Clean	`CC(=O)c1ccc(N2CCN(C)CC2)cc1`
ZINC15923743	0.743	227.2 Da LogP 3.27 TPSA 33.1	✓ Ro5	✓ Clean	`Cc1cccc2c(O)cc(C(F)(F)F)nc12`
ZINC2560824	0.733	260.2 Da LogP -1.05 TPSA 132.8	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O`
ZINC82264502	0.733	219.3 Da LogP 0.54 TPSA 49.6	✓ Ro5	✓ Clean	`CN1CCN(c2ccc(C(N)=O)cc2)CC1`
ZINC8700304	0.733	278.0 Da LogP 1.78 TPSA 46.5	✓ Ro5	✓ Clean	`COC(=O)c1ccc(I)c(O)c1`
ZINC51951733	0.731	278.0 Da LogP 1.78 TPSA 46.5	✓ Ro5	✓ Clean	`COC(=O)c1cc(O)cc(I)c1`
ZINC58123315	0.731	376.3 Da LogP -1.36 TPSA 207.4	1 viol.	✓ Clean	`O=C(O)CC[C@H](NC(=O)CCC(=O)N[C@@H](CCC(=O)O)C(=…`
ZINC58123320	0.731	376.3 Da LogP -1.36 TPSA 207.4	1 viol.	✓ Clean	`O=C(O)CC[C@H](NC(=O)CCC(=O)N[C@H](CCC(=O)O)C(=O…`
ZINC58123326	0.731	376.3 Da LogP -1.36 TPSA 207.4	1 viol.	✓ Clean	`O=C(O)CC[C@@H](NC(=O)CCC(=O)N[C@H](CCC(=O)O)C(=…`
ZINC65336911	0.731	231.0 Da LogP 1.94 TPSA 46.5	✓ Ro5	✓ Clean	`COC(=O)c1cc(O)cc(Br)c1`
ZINC71789975	0.727	215.0 Da LogP 2.36 TPSA 37.3	✓ Ro5	✓ Clean	`CC(=O)c1c(O)cccc1Br`
ZINC156144	0.714	231.1 Da LogP 3.10 TPSA 33.1	✓ Ro5	✓ Clean	`Oc1cc(C(F)(F)F)nc2c(F)cccc12`
ZINC20079899	0.714	282.3 Da LogP 2.71 TPSA 43.8	✓ Ro5	✓ Clean	`O=C(O)c1ccc(N2CCN(c3ccccc3)CC2)cc1`
ZINC163194744	0.707	214.3 Da LogP 3.02 TPSA 48.8	✓ Ro5	✓ Clean	`CCCOc1ccc2[nH]cc(CC#N)c2c1`
ZINC1530296	0.704	247.2 Da LogP -0.71 TPSA 141.0	✓ Ro5	✓ Clean	`O=C(O)CCC(=O)N[C@@H](CCC(=O)O)C(=O)O`
ZINC44185391	0.704	208.3 Da LogP 2.48 TPSA 46.5	✓ Ro5	✓ Clean	`COC(=O)c1cc(O)cc(C(C)(C)C)c1`
ZINC2457232	0.700	248.3 Da LogP 1.05 TPSA 60.9	✓ Ro5	✓ Clean	`CC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1`
ZINC97437871	0.696	262.0 Da LogP 2.20 TPSA 37.3	✓ Ro5	✓ Clean	`CC(=O)c1c(O)cccc1I`
ZINC135889580	0.694	295.2 Da LogP 3.76 TPSA 33.1	✓ Ro5	✓ Clean	`OCc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12`
ZINC157271	0.694	247.6 Da LogP 3.61 TPSA 33.1	✓ Ro5	✓ Clean	`Oc1cc(C(F)(F)F)nc2c(Cl)cccc12`
ZINC161361	0.694	292.1 Da LogP 3.72 TPSA 33.1	✓ Ro5	✓ Clean	`Oc1cc(C(F)(F)F)nc2c(Br)cccc12`
ZINC34620790	0.694	339.1 Da LogP 3.56 TPSA 33.1	✓ Ro5	✓ Clean	`Oc1cc(C(F)(F)F)nc2c(I)cccc12`
ZINC13529664	0.692	320.3 Da LogP -1.08 TPSA 190.3	1 viol.	✓ Clean	`O=C(O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=…`
ZINC2572074	0.690	203.2 Da LogP -0.47 TPSA 92.7	✓ Ro5	✓ Clean	`COC(=O)[C@H](CCC(=O)O)NC(C)=O`
ZINC56960616	0.690	203.2 Da LogP -0.47 TPSA 92.7	✓ Ro5	✓ Clean	`COC(=O)[C@@H](CCC(=O)O)NC(C)=O`
ZINC1384102	0.688	234.3 Da LogP 1.22 TPSA 32.8	✓ Ro5	✓ Clean	`COC(=O)c1ccc(N2CCN(C)CC2)cc1`
ZINC2540734	0.688	263.3 Da LogP 0.56 TPSA 103.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](CS[C@H](C)CCC(=O)O)C(=O)O`
ZINC32089653	0.688	232.3 Da LogP 2.03 TPSA 23.6	✓ Ro5	✓ Clean	`CCC(=O)c1ccc(N2CCN(C)CC2)cc1`
ZINC83263397	0.688	263.3 Da LogP 0.56 TPSA 103.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](CS[C@@H](C)CCC(=O)O)C(=O)O`
ZINC2149531	0.686	299.6 Da LogP 4.93 TPSA 12.9	✓ Ro5	✓ Clean	`FC(F)(F)c1cc(Cl)c2cccc(C(F)(F)F)c2n1`
ZINC32099772	0.686	279.2 Da LogP 4.58 TPSA 12.9	✓ Ro5	✓ Clean	`Cc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12`

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.