Protein profile

VK055_2637

acetyltransferase family protein

Genome: KpATCC43816

Gene: AIK81231.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GIP5

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Amino acids 278

Annotations 1

Features 11

PDB binders 2

Druggability 0.544

Overview

Basic information about this protein and its source genome.

Accession: VK055_2637
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: AIK81231.1
Status: annotated
Amino acids: 278
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).

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 43.056
Localization: CytoplasmicMembrane
ColabFold pLDDT: 92.73

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 0.544

Structure A0A0H3GIP5

Pocket Pocket 4

P2Rank 0.832

Structure A0A0H3GIP5

Pocket Pocket 1

ColabFold model

FPocket 0.284 · Pocket 1

P2Rank 0.866 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 11 / 4744 genomes with a hit

Normalized 0.002

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 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).

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
15	133	SUPERFAMILY	SSF55729	Acyl-CoA N-acyltransferases (Nat)
15	133	InterPro	IPR016181	Acyl-CoA N-acyltransferase
2	141	Gene3D	G3DSA:3.40.630.30	-
51	130	Pfam	PF00583	Acetyltransferase (GNAT) family
51	130	InterPro	IPR000182	GNAT domain
195	234	CDD	cd04301	NAT_SF
64	146	PANTHER	PTHR43420	ACETYLTRANSFERASE
3	149	ProSiteProfiles	PS51186	Gcn5-related N-acetyltransferase (GNAT) domain profile.
3	149	InterPro	IPR000182	GNAT domain
189	256	SUPERFAMILY	SSF55729	Acyl-CoA N-acyltransferases (Nat)
189	256	InterPro	IPR016181	Acyl-CoA N-acyltransferase

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_A0A0H3GIP5	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_2637	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
3				0.109
1				0.097
2				0.059
6				0.014

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	22.76	0.832
2	21.2	0.806
3	6.65	0.284
4	2.7	0.065

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				0.284
2				0.01
8				0.002
11				0.001

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	25.52	0.866
2	19.28	0.771
3	5.29	0.204
4	1.78	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.

52 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	7L1K	O74311	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](…`
IHP	7L1K	O74311	660.0 Da LogP -3.13 TPSA 400.6	3 viol.	✓ Clean	`C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(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).

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
ZINC13556870	0.722	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H…`
ZINC71789368	0.722	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@H]…`
ZINC71792243	0.722	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H…`
ZINC100015956	0.706	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H]…`
ZINC100015959	0.706	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H]…`
ZINC100016166	0.706	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O…`
ZINC100590871	0.706	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@H](…`
ZINC1501016356	0.706	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)OC1C(O)[C@H](OP(=O)(O)O)C(O)[C@H](OP(=…`
ZINC100016164	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@…`
ZINC100028278	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H…`
ZINC100061358	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H]…`
ZINC100085584	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H]…`
ZINC100604895	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H…`
ZINC100620447	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H…`
ZINC13536447	0.667	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H]…`
ZINC2504621	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)OC1[C@@H](O)[C@H](O)C(O)[C@@H](O)[C@H]…`
ZINC255979099	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@…`
ZINC3869170	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H…`
ZINC3869171	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]…`
ZINC3869172	0.667	260.1 Da LogP -3.72 TPSA 167.9	1 viol.	✓ Clean	`O=P(O)(O)OC1[C@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O`
ZINC4096301	0.667	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@…`
ZINC100016181	0.632	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H…`
ZINC100017679	0.632	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H]…`
ZINC100032685	0.632	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H]…`
ZINC100079962	0.632	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@…`
ZINC100096885	0.632	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H…`
ZINC100351450	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)…`
ZINC12503564	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@H]…`
ZINC12503566	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@@H…`
ZINC13508220	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O…`
ZINC13541740	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(…`
ZINC13557565	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O…`
ZINC255995548	0.632	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H…`
ZINC255995550	0.632	340.1 Da LogP -3.60 TPSA 214.4	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](…`
ZINC25722866	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@@…`
ZINC26750262	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@H]…`
ZINC26750593	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@…`
ZINC26750597	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@H…`
ZINC26750602	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)…`
ZINC27645762	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)…`
ZINC27645853	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@…`
ZINC27645862	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H…`
ZINC34011720	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(…`
ZINC34891245	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@H…`
ZINC36351454	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](OP(=O)…`
ZINC3869995	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)…`
ZINC3869997	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](OP(=O)(…`
ZINC40690378	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@H]…`
ZINC4095596	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H…`
ZINC4095598	0.632	420.1 Da LogP -3.48 TPSA 261.0	1 viol.	✓ Clean	`O=P(O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H]…`

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.