Protein profile

KP13_05118

putative chloramphenicol acetyltransferase

Genome: KpKP13

Gene: AHE44236.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GTS7

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Amino acids 227

Annotations 1

Features 10

PDB binders 2

Druggability 0.87

Overview

Basic information about this protein and its source genome.

Accession: KP13_05118
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE44236.1
Status: annotated
Amino acids: 227
Structure source: AlphaFold + ColabFold

GO:0008811 Catalysis of the reaction: chloramphenicol + acetyl-CoA = chloramphenicol 3-acetate + CoA.

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 (%): 0.0
Localization: Unknown
ColabFold pLDDT: 93.51

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 0.87

Structure A0A0H3GTS7

Pocket Pocket 14

P2Rank 0.451

Structure A0A0H3GTS7

Pocket Pocket 1

ColabFold model

FPocket 0.225 · Pocket 1

P2Rank 0.402 · Pocket 1

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 10 / 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:0008811 Catalysis of the reaction: chloramphenicol + acetyl-CoA = chloramphenicol 3-acetate + CoA.

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records

Show feature table

Start	End	DB	Term	Name
1	201	Gene3D	G3DSA:3.30.559.10	-
1	201	InterPro	IPR023213	Chloramphenicol acetyltransferase-like domain superfamily
1	202	PANTHER	PTHR38474	SLR0299 PROTEIN
1	202	InterPro	IPR001707	Chloramphenicol acetyltransferase
2	199	SMART	SM01059	CAT_2a
2	199	InterPro	IPR001707	Chloramphenicol acetyltransferase
1	209	NCBIfam	NF033155	CatA-like O-acetyltransferase, family 1
3	205	SUPERFAMILY	SSF52777	CoA-dependent acyltransferases
4	195	Pfam	PF00302	Chloramphenicol acetyltransferase
4	195	InterPro	IPR001707	Chloramphenicol 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...

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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_A0A0H3GTS7	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_05118	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
14				0.87
6				0.347

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	5.87	0.287
2	2.62	0.076
3	2.07	0.047
4	1.7	0.029
5	1.51	0.022

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				0.225

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	5.96	0.293
2	2.06	0.046
3	2.01	0.043
4	1.92	0.039

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
CLM	1CLA	P00484	323.1 Da LogP 0.91 TPSA 112.7	✓ Ro5	✓ Clean	`c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=…`
FUA	1QCA	P00484	516.7 Da LogP 5.67 TPSA 104.1	2 viol.	✓ Clean	`C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[…`

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
ZINC13355879	0.780	282.3 Da LogP 0.76 TPSA 112.7	✓ Ro5	✓ Clean	`CC(C)C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-]…`
ZINC13355883	0.780	282.3 Da LogP 0.76 TPSA 112.7	✓ Ro5	✓ Clean	`CC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])…`
ZINC13355887	0.780	282.3 Da LogP 0.76 TPSA 112.7	✓ Ro5	✓ Clean	`CC(C)C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-…`
ZINC13355891	0.780	282.3 Da LogP 0.76 TPSA 112.7	✓ Ro5	✓ Clean	`CC(C)C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-]…`
ZINC1471740333	0.780	284.3 Da LogP -0.51 TPSA 132.9	✓ Ro5	✓ Clean	`C[C@@H](O)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)…`
ZINC271683717	0.780	284.3 Da LogP -0.51 TPSA 132.9	✓ Ro5	✓ Clean	`C[C@H](O)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[…`
ZINC174037	0.732	254.2 Da LogP 0.13 TPSA 112.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1`
ZINC174039	0.732	254.2 Da LogP 0.13 TPSA 112.7	✓ Ro5	✓ Clean	`CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1`
ZINC174040	0.732	254.2 Da LogP 0.13 TPSA 112.7	✓ Ro5	✓ Clean	`CC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1`
ZINC174042	0.732	254.2 Da LogP 0.13 TPSA 112.7	✓ Ro5	✓ Clean	`CC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1`
ZINC2014950	0.732	270.2 Da LogP -0.90 TPSA 132.9	✓ Ro5	✓ Clean	`O=C(CO)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1`
ZINC3607770	0.714	268.3 Da LogP 0.52 TPSA 112.7	✓ Ro5	✓ Clean	`CCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1`
ZINC2697414	0.667	312.3 Da LogP -0.03 TPSA 150.0	✓ Ro5	✓ Clean	`O=C(O)CCC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[…`
ZINC2697416	0.667	312.3 Da LogP -0.03 TPSA 150.0	✓ Ro5	✓ Clean	`O=C(O)CCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O…`
ZINC2697417	0.667	312.3 Da LogP -0.03 TPSA 150.0	✓ Ro5	✓ Clean	`O=C(O)CCC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)…`
ZINC2697419	0.667	312.3 Da LogP -0.03 TPSA 150.0	✓ Ro5	✓ Clean	`O=C(O)CCC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[…`
ZINC2541612	0.638	312.3 Da LogP 1.51 TPSA 121.9	✓ Ro5	✓ Clean	`CC(C)(C)OC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[…`
ZINC2792614	0.638	330.3 Da LogP 1.73 TPSA 112.7	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O…`
ZINC2792615	0.638	330.3 Da LogP 1.73 TPSA 112.7	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-…`
ZINC2792616	0.638	330.3 Da LogP 1.73 TPSA 112.7	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[…`
ZINC2792617	0.638	330.3 Da LogP 1.73 TPSA 112.7	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O…`
ZINC3122276	0.638	331.3 Da LogP 1.81 TPSA 124.7	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)…`
ZINC3122277	0.638	331.3 Da LogP 1.81 TPSA 124.7	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[…`
ZINC3122278	0.638	331.3 Da LogP 1.81 TPSA 124.7	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O…`
ZINC3122279	0.638	331.3 Da LogP 1.81 TPSA 124.7	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)…`
ZINC3257119	0.638	420.5 Da LogP 3.33 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](CO)[C@H](O)c1c…`
ZINC3257121	0.638	420.5 Da LogP 3.33 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(CC(c1ccccc1)c1ccccc1)N[C@H](CO)[C@H](O)c1cc…`
ZINC3257123	0.638	420.5 Da LogP 3.33 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](CO)[C@@H](O)c1…`
ZINC3257126	0.638	420.5 Da LogP 3.33 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(CC(c1ccccc1)c1ccccc1)N[C@H](CO)[C@@H](O)c1c…`
ZINC38316846	0.625	310.4 Da LogP 1.69 TPSA 112.7	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-…`
ZINC84742993	0.625	310.4 Da LogP 1.69 TPSA 112.7	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-]…`
ZINC84742995	0.625	310.4 Da LogP 1.69 TPSA 112.7	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])…`
ZINC84742999	0.625	310.4 Da LogP 1.69 TPSA 112.7	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-]…`
ZINC12585225	0.612	349.3 Da LogP 1.95 TPSA 124.7	✓ Ro5	✓ Clean	`O=C(Nc1ccc(F)cc1)N[C@@H](CO)[C@@H](O)c1ccc([N+]…`
ZINC1442224	0.612	322.3 Da LogP 1.48 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c…`
ZINC1442225	0.612	322.3 Da LogP 1.48 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1…`
ZINC1442226	0.612	322.3 Da LogP 1.48 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)…`
ZINC1442227	0.612	322.3 Da LogP 1.48 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c…`
ZINC3236406	0.612	384.3 Da LogP 2.44 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c…`
ZINC3236407	0.612	384.3 Da LogP 2.44 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1…`
ZINC3236408	0.612	384.3 Da LogP 2.44 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)…`
ZINC3236409	0.612	384.3 Da LogP 2.44 TPSA 112.7	✓ Ro5	✓ Clean	`O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c…`
ZINC43649866	0.612	295.3 Da LogP 0.42 TPSA 161.5	✓ Ro5	Alert	`[N-]=[N+]=NCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=…`
ZINC44146087	0.612	422.6 Da LogP 4.81 TPSA 112.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](…`
ZINC59594185	0.612	422.6 Da LogP 4.81 TPSA 112.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+]…`
ZINC59594190	0.612	422.6 Da LogP 4.81 TPSA 112.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+…`
ZINC59594195	0.612	422.6 Da LogP 4.81 TPSA 112.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+]…`
ZINC9376096	0.612	349.3 Da LogP 1.95 TPSA 124.7	✓ Ro5	✓ Clean	`O=C(Nc1ccc(F)cc1)N[C@H](CO)[C@@H](O)c1ccc([N+](…`
ZINC9376097	0.612	349.3 Da LogP 1.95 TPSA 124.7	✓ Ro5	✓ Clean	`O=C(Nc1ccc(F)cc1)N[C@H](CO)[C@H](O)c1ccc([N+](=…`
ZINC9376098	0.612	349.3 Da LogP 1.95 TPSA 124.7	✓ Ro5	✓ Clean	`O=C(Nc1ccc(F)cc1)N[C@@H](CO)[C@H](O)c1ccc([N+](…`

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.