Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: KP13_03782
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: wbbM AHE43683.1
Status: annotated
Amino acids: 631
Structure source: Experimental + ColabFold

GO

GO:0016757 Catalysis of the transfer of a glycosyl group from one compound (donor) to another (acceptor). GO:0046872 Binding to a metal ion.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 22.973
Human E-value: 1.5e-07
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Cytoplasmic
ColabFold pLDDT: 92.94

Selected Druggability evidence

PDB experimental structure

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 0.358

Structure 6U4B

Pocket Pocket 7

P2Rank 0.479

Structure 6U4B

Pocket Pocket 1

ColabFold model

FPocket 0.308 · Pocket 1

P2Rank 0.956 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 7 / 4744 genomes with a hit

Normalized 0.001

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

2

GO:0016757 Catalysis of the transfer of a glycosyl group from one compound (donor) to another (acceptor).
GO:0046872 Binding to a metal ion.

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records

Show feature table

Start	End	DB	Term	Name
278	546	CDD	cd04194	GT8_A4GalT_like
267	569	PANTHER	PTHR13778	GLYCOSYLTRANSFERASE 8 DOMAIN-CONTAINING PROTEIN
6	244	Pfam	PF14393	Domain of unknown function (DUF4422)
6	244	InterPro	IPR025536	Domain of unknown function DUF4422
280	546	Pfam	PF01501	Glycosyl transferase family 8
280	546	InterPro	IPR002495	Glycosyl transferase, family 8
279	568	Gene3D	G3DSA:3.90.550.10	Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A
279	568	InterPro	IPR029044	Nucleotide-diphospho-sugar transferases
278	565	SUPERFAMILY	SSF53448	Nucleotide-diphospho-sugar transferases
278	565	InterPro	IPR029044	Nucleotide-diphospho-sugar transferases

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...

Legend High Medium Low

Structural evidence

1 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
PDB 6U4B	X-ray	2.10 Å	A	92.9% 1-586	PDBe RCSB PDBj File	Viewing
ColabFold KP13_03782	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
7				0.358

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	8.94	0.479
2	8.21	0.437
3	3.1	0.104
4	2.79	0.086
5	1.56	0.024

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				0.308

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	32.65	0.944
2	3.31	0.117
3	2.41	0.064
4	1.86	0.037
5	1.33	0.015

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.

17 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
UPF	1G9R	Q93EK7	568.3 Da LogP -3.82 TPSA 276.8	3 viol.	✓ Clean	`C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL1229737	Q8KHJ3	6.05	676.4 Da LogP -3.25 TPSA 314.1	3 viol.	✓ Clean	`O=Cc1ccc(-c2cn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O…`

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
ZINC28636439	0.567	246.2 Da LogP -1.87 TPSA 104.5	✓ Ro5	✓ Clean	`O=c1ccn([C@@H]2O[C@H](CO)[C@H](F)[C@@H]2O)c(=O)…`
ZINC6524827	0.567	246.2 Da LogP -1.87 TPSA 104.5	✓ Ro5	✓ Clean	`O=c1ccn([C@@H]2O[C@H](CO)[C@@H](F)[C@H]2O)c(=O)…`
ZINC5106305	0.517	246.2 Da LogP -1.87 TPSA 104.5	✓ Ro5	✓ Clean	`O=c1ccn([C@H]2O[C@@H](CF)[C@@H](O)[C@H]2O)c(=O)…`
ZINC5106307	0.517	246.2 Da LogP -1.87 TPSA 104.5	✓ Ro5	✓ Clean	`O=c1ccn([C@@H]2O[C@@H](CF)[C@@H](O)[C@H]2O)c(=O…`
ZINC5106312	0.517	246.2 Da LogP -1.87 TPSA 104.5	✓ Ro5	✓ Clean	`O=c1ccn([C@H]2O[C@@H](CF)[C@@H](O)[C@@H]2O)c(=O…`
ZINC5106314	0.517	246.2 Da LogP -1.87 TPSA 104.5	✓ Ro5	✓ Clean	`O=c1ccn([C@@H]2O[C@@H](CF)[C@@H](O)[C@@H]2O)c(=…`
ZINC13519607	0.506	498.2 Da LogP -2.19 TPSA 264.4	2 viol.	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP…`
ZINC31298140	0.506	498.2 Da LogP -2.19 TPSA 264.4	2 viol.	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)…`
ZINC81168754	0.506	498.2 Da LogP -2.19 TPSA 264.4	2 viol.	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)…`
ZINC81168756	0.506	498.2 Da LogP -2.19 TPSA 264.4	2 viol.	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)…`
ZINC13518650	0.500	418.2 Da LogP -2.31 TPSA 217.8	1 viol.	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C…`
ZINC8617535	0.500	422.2 Da LogP -2.48 TPSA 217.8	1 viol.	✓ Clean	`O=c1[nH]c(=O)n([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC8617536	0.500	422.2 Da LogP -2.48 TPSA 217.8	1 viol.	✓ Clean	`O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(…`
ZINC8617537	0.500	422.2 Da LogP -2.48 TPSA 217.8	1 viol.	✓ Clean	`O=c1[nH]c(=O)n([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC8617538	0.500	422.2 Da LogP -2.48 TPSA 217.8	1 viol.	✓ Clean	`O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(…`

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.

KP13_03782

Overview

Target profile

Selected Druggability evidence

Sequence

Functional Annotations

Gene Ontology (GO)

Sequence Features

3D Structure

Structural evidence

Pockets (FPOCKET)

Pockets (P2RANK)

Pockets (FPOCKET)

Pockets (P2RANK)

Ligand evidence