Protein profile

KP13_02025

GCN5-related N-acetyltransferase

Genome: KpKP13

Gene: AHE46461.1 Structure source: AlphaFold + ColabFold UniProt A0A2X3CPV0

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Amino acids 98

Annotations 6

Features 11

PDB binders 6

Druggability 0.14

Overview

Basic information about this protein and its source genome.

Accession: KP13_02025
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE46461.1
Status: annotated
Amino acids: 98
Structure source: AlphaFold + ColabFold

2.3.1.266

GO:0008080 Catalysis of the transfer of an acetyl group to a nitrogen atom on the acceptor molecule. GO:0016747 Catalysis of the transfer of an acyl group, other than amino-acyl, from one compound (donor) to another (acceptor). GO:0006474 The acetylation of the N-terminal amino acid of proteins. GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0008999 Catalysis of the reaction: acetyl-CoA + N-terminal L-alanyl-[protein] = CoA + H+ + N-terminal N(alpha)-acetyl-L-alanyl-[protein].

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 38.596
Human E-value: 9.59e-08
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 90.816
DEG E-value: 7.4499999999999995e-62
Localization: Cytoplasmic
ColabFold pLDDT: 97.03

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 0.14

Structure A0A2X3CPV0

Pocket Pocket 1

P2Rank 0.257

Structure A0A2X3CPV0

Pocket Pocket 1

ColabFold model

FPocket 0.338 · Pocket 1

P2Rank 0.265 · Pocket 1

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 149 / 4744 genomes with a hit

Normalized 0.031

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)

2.3.1.266

Gene Ontology (GO)

GO:0008080 Catalysis of the transfer of an acetyl group to a nitrogen atom on the acceptor molecule.
GO:0016747 Catalysis of the transfer of an acyl group, other than amino-acyl, from one compound (donor) to another (acceptor).
GO:0006474 The acetylation of the N-terminal amino acid of proteins.
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0008999 Catalysis of the reaction: acetyl-CoA + N-terminal L-alanyl-[protein] = CoA + H+ + N-terminal N(alpha)-acetyl-L-alanyl-[protein].

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
1	97	ProSiteProfiles	PS51186	Gcn5-related N-acetyltransferase (GNAT) domain profile.
1	97	InterPro	IPR000182	GNAT domain
13	70	Pfam	PF00583	Acetyltransferase (GNAT) family
13	70	InterPro	IPR000182	GNAT domain
1	53	CDD	cd04301	NAT_SF
1	98	Gene3D	G3DSA:3.40.630.30	-
3	96	SUPERFAMILY	SSF55729	Acyl-CoA N-acyltransferases (Nat)
3	96	InterPro	IPR016181	Acyl-CoA N-acyltransferase
16	94	PANTHER	PTHR43420	ACETYLTRANSFERASE
1	92	NCBIfam	TIGR01575	ribosomal protein S18-alanine N-acetyltransferase
1	92	InterPro	IPR006464	N-acetyltransferase RimI/Ard1

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_A0A2X3CPV0	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_02025	ColabFold	—	—	full sequence	—	Loaded

Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

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				3.76	0.145

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				0.338

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				3.87	0.151

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.

66 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
CMC	6Z00	Q9LFM3	825.6 Da LogP -1.78 TPSA 383.9	3 viol.	✓ Clean	`CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](…`
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`
U2J	6WFK	Q9GZZ1	552.6 Da LogP -0.30 TPSA 195.3	1 viol.	✓ Clean	`CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc…`
U3V	6WFG	Q9GZZ1	474.6 Da LogP 0.86 TPSA 125.4	✓ Ro5	✓ Clean	`CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O…`
U3Y	6WFO	Q9GZZ1	552.6 Da LogP -0.30 TPSA 195.3	1 viol.	✓ Clean	`CNC(=O)c1csc(n1)[C@H]2C[C@@H](CN2C(=O)c3ccc(cc3…`
U44	6WF5	Q9GZZ1	262.4 Da LogP -0.05 TPSA 78.4	✓ Ro5	✓ Clean	`CC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)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
CHEMBL4642700	Q9GZZ1	7.89	509.6 Da LogP 0.64 TPSA 166.2	1 viol.	✓ Clean	`Cc1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=…`
CHEMBL4642788	Q9GZZ1	7.89	552.6 Da LogP -0.30 TPSA 195.3	1 viol.	✓ Clean	`CNC(=O)c1csc(C2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(…`
CHEMBL4639216	Q9GZZ1	7.85	536.5 Da LogP -0.77 TPSA 208.4	1 viol.	✓ Clean	`CNC(=O)c1coc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N…`
CHEMBL1230809	Q9GZZ1	7.75	809.6 Da LogP -1.32 TPSA 363.6	3 viol.	✓ Clean	`CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O…`
CHEMBL4642911	Q9GZZ1	7.52	1223.1 Da LogP -2.50 TPSA 497.3	3 viol.	✓ Clean	`CSCC[C@H](NC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(…`
CHEMBL4644527	Q9GZZ1	7.06	538.6 Da LogP 0.05 TPSA 178.2	1 viol.	✓ Clean	`CNC(=O)c1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N…`
CHEMBL1213327	Q9GZZ1	6.81	767.5 Da LogP -1.67 TPSA 346.6	3 viol.	✓ Clean	`CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3…`
CHEMBL4636177	Q9GZZ1	6.77	485.5 Da LogP 1.16 TPSA 149.0	✓ Ro5	✓ Clean	`Cc1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=…`
CHEMBL4648534	Q9GZZ1	6.37	552.6 Da LogP -0.30 TPSA 195.3	1 viol.	✓ Clean	`CNC(=O)c1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N…`
CHEMBL4640907	Q9GZZ1	6.00	508.6 Da LogP 1.25 TPSA 153.3	1 viol.	✓ Clean	`Cc1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=…`

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
ZINC3869683	0.735	278.4 Da LogP -1.08 TPSA 98.7	✓ Ro5	✓ Clean	`CC(C)(CO)[C@H](O)C(=O)NCCC(=O)NCCS`
ZINC3869684	0.735	278.4 Da LogP -1.08 TPSA 98.7	✓ Ro5	✓ Clean	`CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS`
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`
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`
ZINC12501123	0.547	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…`
ZINC4228234	0.547	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…`
ZINC79671662	0.547	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…`
ZINC79671663	0.547	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…`
ZINC1616450	0.536	254.3 Da LogP -1.28 TPSA 82.3	✓ Ro5	✓ Clean	`O=C(NCCNC(=O)[C@@H]1CCCN1)[C@@H]1CCCN1`
ZINC5600257	0.536	254.3 Da LogP -1.28 TPSA 82.3	✓ Ro5	✓ Clean	`O=C(NCCNC(=O)[C@H]1CCCN1)[C@H]1CCCN1`
ZINC8655607	0.536	254.3 Da LogP -1.28 TPSA 82.3	✓ Ro5	✓ Clean	`O=C(NCCNC(=O)[C@H]1CCCN1)[C@@H]1CCCN1`
ZINC4899613	0.531	212.2 Da LogP -0.19 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1`
ZINC4974454	0.531	212.2 Da LogP -0.19 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)[C@H]1CCCN1C(=O)[C@H]1CCCN1`
ZINC4974455	0.531	212.2 Da LogP -0.19 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1`
ZINC4974456	0.531	212.2 Da LogP -0.19 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1`
ZINC757216905	0.531	212.3 Da LogP 0.44 TPSA 61.4	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1C[C@@H]([C@@H]2CCCNC2)CCN1`
ZINC757216906	0.531	212.3 Da LogP 0.44 TPSA 61.4	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1C[C@H]([C@@H]2CCCNC2)CCN1`
ZINC757216908	0.531	212.3 Da LogP 0.44 TPSA 61.4	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1C[C@@H]([C@H]2CCCNC2)CCN1`
ZINC757216910	0.531	212.3 Da LogP 0.44 TPSA 61.4	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1C[C@H]([C@H]2CCCNC2)CCN1`
ZINC85223882	0.513	261.3 Da LogP -2.05 TPSA 124.7	✓ Ro5	✓ Clean	`CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCN`
ZINC12360002	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC12360703	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC12503599	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC16546165	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OP(=O)(…`
ZINC31977053	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…`
ZINC4806433	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC53683898	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC8586019	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…`
ZINC8586020	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC8586021	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)OP(=O…`
ZINC8586022	0.506	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
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`
ZINC19409402	0.500	224.3 Da LogP 1.97 TPSA 41.1	✓ Ro5	✓ Clean	`O=C(NC1CCCCCCC1)[C@@H]1CCCN1`
ZINC19409404	0.500	224.3 Da LogP 1.97 TPSA 41.1	✓ Ro5	✓ Clean	`O=C(NC1CCCCCCC1)[C@H]1CCCN1`
ZINC74148205	0.500	211.3 Da LogP 2.02 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1C[C@H](C2CCCCC2)CCN1`
ZINC74148208	0.500	211.3 Da LogP 2.02 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CCN1`
ZINC74148211	0.500	211.3 Da LogP 2.02 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)[C@H]1C[C@H](C2CCCCC2)CCN1`
ZINC74148213	0.500	211.3 Da LogP 2.02 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)[C@H]1C[C@@H](C2CCCCC2)CCN1`

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.