Protein profile

KP13_00363

LpxA-like domain-containing transferase

Genome: KpKP13

Gene: AHE46898.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GKW1

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Amino acids 151

Annotations 0

Features 11

PDB binders 16

Druggability 0.258

Overview

Basic information about this protein and its source genome.

Accession: KP13_00363
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE46898.1
Status: annotated
Amino acids: 151
Structure source: AlphaFold + ColabFold

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 50.0
DEG E-value: 0.4
Localization: Unknown
ColabFold pLDDT: 97.54

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 0.258

Structure A0A0H3GKW1

Pocket Pocket 1

P2Rank 0.049

Structure A0A0H3GKW1

Pocket Pocket 1

ColabFold model

FPocket 0.17 · Pocket 2

P2Rank 0.039 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 56 / 4744 genomes with a hit

Normalized 0.012

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

No GO or EC annotations are currently loaded for this protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
5	150	Gene3D	G3DSA:2.160.10.10	Hexapeptide repeat proteins
15	149	PANTHER	PTHR43300	ACETYLTRANSFERASE
65	74	Pfam	PF14602	Hexapeptide repeat of succinyl-transferase
65	74	InterPro	IPR001451	Hexapeptide repeat
99	132	Pfam	PF14602	Hexapeptide repeat of succinyl-transferase
99	132	InterPro	IPR001451	Hexapeptide repeat
11	151	SUPERFAMILY	SSF51161	Trimeric LpxA-like enzymes
11	151	InterPro	IPR011004	Trimeric LpxA-like superfamily
31	149	CDD	cd03358	LbH_WxcM_N_like
28	61	Pfam	PF00132	Bacterial transferase hexapeptide (six repeats)
28	61	InterPro	IPR001451	Hexapeptide repeat

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_A0A0H3GKW1	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_00363	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				0.258

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				1.41	0.018

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
1F7	4IHF	P21645	584.7 Da LogP 3.04 TPSA 182.5	2 viol.	✓ Clean	`CCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C…`
4TG	4ZU4	Q12KT8	575.4 Da LogP -2.67 TPSA 265.4	3 viol.	✓ Clean	`C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP…`
FTT	4IHG	P21645	244.4 Da LogP 3.74 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@H](CC(=O)O)O`
O3V	6P84	P21645	389.5 Da LogP 5.01 TPSA 68.0	1 viol.	✓ Clean	`CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)…`
O3Y	6P83	P21645	417.9 Da LogP 5.60 TPSA 68.0	1 viol.	✓ Clean	`CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(…`
O4D	6P8A	P21645	396.5 Da LogP 1.68 TPSA 77.2	✓ Ro5	✓ Clean	`Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C`
O4G	6P88	P21645	364.4 Da LogP 3.56 TPSA 89.8	✓ Ro5	✓ Clean	`c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4`
O4P	6P87	P21645	406.5 Da LogP 4.86 TPSA 54.6	✓ Ro5	✓ Clean	`CN([C@@H](c1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccc…`
O4S	6P86	P21645	474.6 Da LogP 3.51 TPSA 73.0	✓ Ro5	✓ Clean	`CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCC[C@@H]4C2=…`
O4V	6P85	P21645	358.4 Da LogP 2.39 TPSA 100.1	✓ Ro5	✓ Clean	`CCOc1ccccc1n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C)N`
PNS	4IHG	P21645	358.4 Da LogP -0.96 TPSA 145.2	1 viol.	✓ Clean	`CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O`
SXA	6X3C	P26839	400.4 Da LogP -0.61 TPSA 162.3	✓ Ro5	✓ Clean	`CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O…`
T3F	3FSC	Q6TFC6	547.3 Da LogP -2.46 TPSA 262.3	3 viol.	✓ Clean	`C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)…`
T3Q	3FSB	Q6TFC6	547.3 Da LogP -2.46 TPSA 262.3	3 viol.	✓ Clean	`C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O…`
TDR	4MZU	Q12KT8	126.1 Da LogP -0.63 TPSA 65.7	✓ Ro5	✓ Clean	`CC1=CNC(=O)NC1=O`
TYD	4MZU	Q12KT8	402.2 Da LogP -1.28 TPSA 197.6	✓ Ro5	✓ Clean	`CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@]…`

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
ZINC100305273	1.000	286.5 Da LogP 4.91 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC[C@H](O)CC(=O)O`
ZINC100305277	1.000	286.5 Da LogP 4.91 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC[C@@H](O)CC(=O)O`
ZINC100500540	1.000	230.3 Da LogP 3.35 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCC[C@@H](O)CC(=O)O`
ZINC100500548	1.000	258.4 Da LogP 4.13 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[C@H](O)CC(=O)O`
ZINC100500553	1.000	258.4 Da LogP 4.13 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[C@@H](O)CC(=O)O`
ZINC15835555	1.000	406.5 Da LogP 4.86 TPSA 54.6	✓ Ro5	✓ Clean	`COc1ccccc1OCC(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2cc…`
ZINC15835557	1.000	406.5 Da LogP 4.86 TPSA 54.6	✓ Ro5	✓ Clean	`COc1ccccc1OCC(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccc…`
ZINC16051927	1.000	216.3 Da LogP 2.96 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCC[C@@H](O)CC(=O)O`
ZINC2039068	1.000	244.4 Da LogP 3.74 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@H](O)CC(=O)O`
ZINC2039069	1.000	244.4 Da LogP 3.74 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@@H](O)CC(=O)O`
ZINC2504625	1.000	216.3 Da LogP 2.96 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCC[C@H](O)CC(=O)O`
ZINC2558055	1.000	202.3 Da LogP 2.57 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCC[C@H](O)CC(=O)O`
ZINC2558056	1.000	230.3 Da LogP 3.35 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCC[C@H](O)CC(=O)O`
ZINC32838984	1.000	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC[C@@H](O)CC(=O)O`
ZINC32838986	1.000	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC[C@H](O)CC(=O)O`
ZINC6817538	1.000	358.4 Da LogP 2.39 TPSA 100.1	✓ Ro5	✓ Clean	`CCOc1ccccc1-n1nnc(S(=O)(=O)c2ccc(C)cc2)c1N`
ZINC754049	1.000	364.4 Da LogP 3.56 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)OCCO2`
ZINC85915165	1.000	202.3 Da LogP 2.57 TPSA 57.5	✓ Ro5	✓ Clean	`CCCCCCCC[C@@H](O)CC(=O)O`
ZINC2858547	0.864	350.3 Da LogP 3.51 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)OCO2`
ZINC861606	0.860	364.4 Da LogP 3.56 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCCO2`
ZINC8907957	0.844	364.4 Da LogP 3.56 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1ccc2c(c1)OCCO2)c1cccc(NC(=O)c2ccco2)c1`
ZINC8060160	0.800	364.4 Da LogP 3.56 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1ccc2c(c1)OCCO2)c1ccc(NC(=O)c2ccco2)cc1`
ZINC15835570	0.789	406.5 Da LogP 4.86 TPSA 54.6	✓ Ro5	✓ Clean	`COc1ccc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3cccc…`
ZINC15835572	0.789	406.5 Da LogP 4.86 TPSA 54.6	✓ Ro5	✓ Clean	`COc1ccc(OCC(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc…`
ZINC15835539	0.786	376.5 Da LogP 4.86 TPSA 45.3	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccccc1)[C@@H](c1cccs1)c1c[nH]c2cccc…`
ZINC15835541	0.786	376.5 Da LogP 4.86 TPSA 45.3	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccccc1)[C@H](c1cccs1)c1c[nH]c2ccccc…`
ZINC15835551	0.783	421.5 Da LogP 4.76 TPSA 88.5	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1cccs1)c…`
ZINC15835553	0.783	421.5 Da LogP 4.76 TPSA 88.5	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1cccs1)c1…`
ZINC31159540	0.778	204.3 Da LogP 1.15 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)C[C@@H](O)CC(=O)O`
ZINC31159544	0.778	204.3 Da LogP 1.15 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H](O)C[C@@H](O)CC(=O)O`
ZINC31159548	0.778	204.3 Da LogP 1.15 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)C[C@H](O)CC(=O)O`
ZINC31159552	0.778	204.3 Da LogP 1.15 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H](O)C[C@H](O)CC(=O)O`
ZINC15835543	0.776	394.5 Da LogP 5.00 TPSA 45.3	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccc(F)cc1)[C@@H](c1cccs1)c1c[nH]c2c…`
ZINC15835545	0.776	394.5 Da LogP 5.00 TPSA 45.3	✓ Ro5	✓ Clean	`CN(C(=O)COc1ccc(F)cc1)[C@H](c1cccs1)c1c[nH]c2cc…`
ZINC8610730	0.769	460.6 Da LogP 3.25 TPSA 73.0	✓ Ro5	✓ Clean	`Cc1cccc(CNC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)…`
ZINC147022	0.767	245.2 Da LogP 2.30 TPSA 60.7	✓ Ro5	✓ Clean	`O=C(Nc1ccc2c(c1)OCCO2)c1ccco1`
ZINC11179983	0.765	420.4 Da LogP 3.90 TPSA 106.9	✓ Ro5	✓ Clean	`O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(NC(=O)c2ccc…`
ZINC809576	0.739	350.3 Da LogP 3.51 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCO2`
ZINC8324629	0.729	378.4 Da LogP 3.95 TPSA 89.8	✓ Ro5	✓ Clean	`O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(NC(=O)c2ccco2)cc1`
ZINC15835479	0.712	430.5 Da LogP 4.81 TPSA 63.8	✓ Ro5	✓ Clean	`COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc…`
ZINC15835481	0.712	430.5 Da LogP 4.81 TPSA 63.8	✓ Ro5	✓ Clean	`COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2cc…`
ZINC2859273	0.712	409.4 Da LogP 3.39 TPSA 101.8	✓ Ro5	✓ Clean	`O=C(NC(=S)Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2c(c1)O…`
ZINC7599071	0.712	378.4 Da LogP 3.86 TPSA 89.8	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1NC(=O)c1ccco1`
ZINC4749328	0.711	312.3 Da LogP 2.67 TPSA 76.7	✓ Ro5	✓ Clean	`CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1`
ZINC878093	0.711	374.4 Da LogP 3.96 TPSA 76.7	✓ Ro5	✓ Clean	`O=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1)c1ccccc1`
ZINC31773507	0.709	312.4 Da LogP 4.58 TPSA 36.1	✓ Ro5	✓ Clean	`CCCC(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc12`
ZINC31773509	0.709	312.4 Da LogP 4.58 TPSA 36.1	✓ Ro5	✓ Clean	`CCCC(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc12`
ZINC13507072	0.708	482.2 Da LogP -1.16 TPSA 244.1	2 viol.	✓ Clean	`Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)O[P@…`
ZINC33979251	0.708	482.2 Da LogP -1.16 TPSA 244.1	2 viol.	✓ Clean	`Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…`
ZINC16430195	0.706	423.5 Da LogP 3.43 TPSA 101.8	✓ Ro5	✓ Clean	`O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)O…`

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.