Protein profile

KP13_01522

GNAT family acetyltransferase

Genome: KpKP13

Gene: AHE43949.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GV66

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Amino acids 158

Annotations 2

Features 10

PDB binders 2

Druggability 0.402

Overview

Basic information about this protein and its source genome.

Accession: KP13_01522
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE43949.1
Status: annotated
Amino acids: 158
Structure source: AlphaFold + ColabFold

GO:0016747 Catalysis of the transfer of an acyl group, other than amino-acyl, from one compound (donor) to another (acceptor). GO:0008080 Catalysis of the transfer of an acetyl group to a nitrogen atom on the acceptor molecule.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 37.725
Human E-value: 1.78e-31
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Cytoplasmic
ColabFold pLDDT: 97.52

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 0.402

Structure A0A0H3GV66

Pocket Pocket 1

P2Rank 0.741

Structure A0A0H3GV66

Pocket Pocket 1

ColabFold model

FPocket 0.655 · Pocket 5

P2Rank 0.668 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 179 / 4744 genomes with a hit

Normalized 0.038

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

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:0008080 Catalysis of the transfer of an acetyl group to a nitrogen atom on the acceptor molecule.

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records

Show feature table

Start	End	DB	Term	Name
1	158	Gene3D	G3DSA:3.40.630.30	-
1	158	FunFam	G3DSA:3.40.630.30:FF:000064	GNAT family acetyltransferase
3	157	PANTHER	PTHR10545	DIAMINE N-ACETYLTRANSFERASE
54	118	CDD	cd04301	NAT_SF
31	133	Pfam	PF00583	Acetyltransferase (GNAT) family
31	133	InterPro	IPR000182	GNAT domain
3	150	SUPERFAMILY	SSF55729	Acyl-CoA N-acyltransferases (Nat)
3	150	InterPro	IPR016181	Acyl-CoA N-acyltransferase
3	158	ProSiteProfiles	PS51186	Gcn5-related N-acetyltransferase (GNAT) domain profile.
3	158	InterPro	IPR000182	GNAT domain

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...

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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_A0A0H3GV66	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_01522	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				0.402

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	11.74	0.623
2	2.99	0.098
3	1.54	0.023
4	1.09	0.007

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
5				0.655
3				0.251

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	10.75	0.577
2	3.14	0.106
3	2.05	0.045

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.

40 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

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

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.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
B33	2B4B	P21673	201.4 Da LogP 0.97 TPSA 36.1	✓ Ro5	✓ Clean	`CCCNCCCNCCCNCC`
TAR	5C82	Q08414	150.1 Da LogP -2.12 TPSA 115.1	✓ Ro5	✓ Clean	`[C@H]([C@@H](C(=O)O)O)(C(=O)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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL165579	P21673	—	230.4 Da LogP 0.42 TPSA 76.1	✓ Ro5	✓ Clean	`CC(N)CCNCCCCNCCC(C)N`
CHEMBL4446160	P48026	—	230.4 Da LogP 0.42 TPSA 76.1	✓ Ro5	✓ Clean	`CC(CCN)NCCCCNC(C)CCN`
CHEMBL4555903	P21673	—	230.4 Da LogP 0.14 TPSA 76.1	✓ Ro5	✓ Clean	`CC(CN)CNCCCCNCC(C)CN`
SPM	P48026	—	202.3 Da LogP -0.36 TPSA 76.1	✓ Ro5	✓ Clean	`C(CCNCCCN)CNCCCN`

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
ZINC3780932	0.813	244.4 Da LogP 0.55 TPSA 48.1	✓ Ro5	✓ Clean	`CCNCCCNCCCNCCCNCC`
ZINC3776794	0.765	258.5 Da LogP 0.95 TPSA 48.1	✓ Ro5	✓ Clean	`CCNCCCNCCCCNCCCNCC`
ZINC3810809	0.706	357.6 Da LogP 2.10 TPSA 60.1	✓ Ro5	✓ Clean	`CCNCCCCNCCCCNCCCCNCCCCNCC`
ZINC5650422	0.706	286.5 Da LogP 1.73 TPSA 48.1	✓ Ro5	✓ Clean	`CCNCCCCNCCCCNCCCCNCC`
ZINC100016239	0.700	200.4 Da LogP 2.55 TPSA 24.1	✓ Ro5	✓ Clean	`CCCCCCCNCCCNCC`
ZINC12359024	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC13533920	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC1532740	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC1549593	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC2013424	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC3581021	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC3860635	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O`
ZINC5783661	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC6072527	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC1726574	0.667	200.4 Da LogP 2.55 TPSA 24.1	✓ Ro5	✓ Clean	`CCCNCCCCCCNCCC`
ZINC1560405156	0.588	208.1 Da LogP -1.79 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)/C(O)=C(\O)[C@H](O)[C@H](O)C(=O)O`
ZINC1560405157	0.588	208.1 Da LogP -1.79 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)/C(O)=C(/O)[C@H](O)[C@H](O)C(=O)O`
ZINC31361891	0.579	200.3 Da LogP -0.58 TPSA 76.1	✓ Ro5	✓ Clean	`NCCCNC/C=C/CNCCCN`
ZINC4978005	0.579	200.3 Da LogP -0.58 TPSA 76.1	✓ Ro5	✓ Clean	`NCCCNC/C=C\CNCCCN`
ZINC101172865	0.571	228.4 Da LogP 3.45 TPSA 38.0	✓ Ro5	✓ Clean	`CCCCCCCCC[C@H](C)NCCCN`
ZINC101172866	0.571	228.4 Da LogP 3.45 TPSA 38.0	✓ Ro5	✓ Clean	`CCCCCCCCC[C@@H](C)NCCCN`
ZINC169723055	0.565	228.3 Da LogP 1.00 TPSA 98.8	✓ Ro5	Alert	`[N-]=[N+]=NCCCNCCCCNCCCN`
ZINC27525218	0.545	256.4 Da LogP 0.72 TPSA 48.1	✓ Ro5	✓ Clean	`CCNCCCNC/C=C\CNCCCNCC`
ZINC2563384	0.522	228.4 Da LogP 3.04 TPSA 24.1	✓ Ro5	✓ Clean	`CC(C)CNCCCCCCNCC(C)C`
ZINC1683332	0.516	215.4 Da LogP 1.44 TPSA 41.3	✓ Ro5	✓ Clean	`CCN(CC)CCC[C@H](C)NCCCN`
ZINC2042698	0.516	215.4 Da LogP 1.44 TPSA 41.3	✓ Ro5	✓ Clean	`CCN(CC)CCC[C@@H](C)NCCCN`
ZINC100027350	0.500	227.4 Da LogP 4.91 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCCNCCCCCCC`
ZINC1529331	0.500	206.1 Da LogP -2.21 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)C(=O)[C@H](C(=O)O)[C@@H](O)C(=O)O`
ZINC1529332	0.500	206.1 Da LogP -2.21 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)C(=O)[C@H](C(=O)O)[C@H](O)C(=O)O`
ZINC1529333	0.500	206.1 Da LogP -2.21 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)C(=O)[C@@H](C(=O)O)[C@@H](O)C(=O)O`
ZINC1529334	0.500	206.1 Da LogP -2.21 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)C(=O)[C@@H](C(=O)O)[C@H](O)C(=O)O`
ZINC1724011	0.500	213.4 Da LogP 4.52 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCNCCCCCCC`
ZINC225049737	0.500	243.4 Da LogP -1.11 TPSA 70.5	✓ Ro5	✓ Clean	`NCCCNCCN1CCN(CCCN)CC1`
ZINC4977317	0.500	228.4 Da LogP 3.33 TPSA 24.1	✓ Ro5	✓ Clean	`CCCCNCCCCCCNCCCC`

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.