Protein profile

KP13_04387

hypothetical protein

Genome: KpKP13

Gene: AHE44881.1 Structure source: Experimental + ColabFold UniProt A6T8F5

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Amino acids 141

Annotations 0

Features 11

PDB binders 3

Druggability 0.97

Overview

Basic information about this protein and its source genome.

Accession: KP13_04387
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE44881.1
Status: annotated
Amino acids: 141
Structure source: Experimental + 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 (%): 46.809
DEG E-value: 3.6900000000000002e-37
Localization: Cytoplasmic
ColabFold pLDDT: 88.1

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 0.97

Structure 3FDX

Pocket Pocket 1

P2Rank 0.535

Structure 3FDX

Pocket Pocket 1

ColabFold model

FPocket 0.115 · Pocket 8

P2Rank 0.491 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 51 / 4744 genomes with a hit

Normalized 0.011

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
2	140	CDD	cd00293	USP_Like
1	141	Gene3D	G3DSA:3.40.50.620	HUPs
1	141	InterPro	IPR014729	Rossmann-like alpha/beta/alpha sandwich fold
119	141	PRINTS	PR01438	Universal stress protein signature
119	141	InterPro	IPR006015	Universal stress protein A family
102	114	PRINTS	PR01438	Universal stress protein signature
102	114	InterPro	IPR006015	Universal stress protein A family
61	141	PANTHER	PTHR46268	STRESS RESPONSE PROTEIN NHAX
2	141	Pfam	PF00582	Universal stress protein family
2	141	InterPro	IPR006016	UspA
2	141	SUPERFAMILY	SSF52402	Adenine nucleotide alpha hydrolases-like

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

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 3FDX	X-ray	20.00 Å	-	—	PDBe RCSB PDBj File	Viewing
ColabFold KP13_04387	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				0.975
2				0.933
6				0.272

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	13.47	0.687
2	11.52	0.614
3	3.44	0.124
4	1.86	0.037

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				6.41	0.323

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.

53 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
OXD	4R2K	Q8ZP84	90.0 Da LogP -0.84 TPSA 74.6	✓ Ro5	✓ Clean	`C(=O)(C(=O)O)O`
U20	4WY2	B4ETT2	833.7 Da LogP -0.43 TPSA 332.2	3 viol.	✓ Clean	`CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@…`
Z6X	5CB0	P0AAC0	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CC(=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
ZINC116852907	0.773	240.4 Da LogP 4.46 TPSA 34.1	✓ Ro5	✓ Clean	`CCCCCCC(=O)CC(=O)CCCCCC`
ZINC138457918	0.708	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCC(=O)O`
ZINC138458029	0.708	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCC(=O)O`
ZINC144395054	0.708	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCC(=O)O`
ZINC14619628	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCCCC(=O)O`
ZINC196749828	0.708	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCC(=O)O`
ZINC2113934076	0.708	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCC(=O)O`
ZINC2113934082	0.708	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCC(=O)O`
ZINC2113934083	0.708	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCC(=O)O`
ZINC2243670	0.708	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCC(=O)O`
ZINC2569203	0.708	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCC(=O)O`
ZINC4798470	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCCC(=O)O`
ZINC5973005	0.708	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCC(=O)O`
ZINC71418182	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CCCCC(=O)O`
ZINC79244776	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCCC(=O)O`
ZINC86037082	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCCC(=O)O`
ZINC86037089	0.708	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCCCC(=O)O`
ZINC86039283	0.708	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCC(=O)O`
ZINC3160730	0.680	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCC(=O)O`
ZINC4582907	0.680	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCC(=O)O`
ZINC4727003	0.680	312.4 Da LogP 4.69 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCC(=O)CCCCCCCC(=O)O`
ZINC59545317	0.680	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCC(=O)O`
ZINC59545320	0.680	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)CCC(=O)O`
ZINC59545336	0.680	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCC(=O)O`
ZINC86037074	0.680	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CCCC(=O)O`
ZINC2378801	0.667	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCC(=O)O`
ZINC1529498	0.652	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
ZINC1530417	0.652	228.4 Da LogP 4.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)O`
ZINC1606037	0.652	212.4 Da LogP 4.89 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCC`
ZINC1628119	0.652	214.3 Da LogP 4.38 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)O`
ZINC2113934081	0.640	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCCCC(=O)O`
ZINC2243668	0.640	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCC(=O)O`
ZINC2378799	0.640	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCC(=O)O`
ZINC33820423	0.640	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCC(=O)O`
ZINC100061492	0.630	284.4 Da LogP 4.82 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)CC(=O)OC`
ZINC2575220	0.630	200.3 Da LogP 2.48 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CC(=O)OC`
ZINC2575222	0.630	228.3 Da LogP 3.26 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CC(=O)OC`
ZINC72400066	0.630	256.4 Da LogP 4.04 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CC(=O)OC`
ZINC1606025	0.625	212.4 Da LogP 4.89 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CCC`
ZINC1606038	0.625	212.4 Da LogP 4.89 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CC`
ZINC100292651	0.607	224.2 Da LogP 3.05 TPSA 34.1	✓ Ro5	✓ Clean	`CCCCCCC(=O)CC(=O)C(F)(F)F`
ZINC101449435	0.586	242.4 Da LogP 3.65 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CC(=O)OCC`
ZINC103653302	0.586	270.4 Da LogP 4.43 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CC(=O)OCC`
ZINC136542401	0.586	256.4 Da LogP 4.04 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CC(=O)OCC`
ZINC138788527	0.586	228.3 Da LogP 3.26 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CC(=O)OCC`
ZINC141134875	0.586	284.4 Da LogP 4.82 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)CC(=O)OCC`
ZINC1688197	0.586	200.3 Da LogP 2.48 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CC(=O)OCC`
ZINC97971808	0.586	214.3 Da LogP 2.87 TPSA 43.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CC(=O)OCC`
ZINC2113934089	0.577	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCC(=O)CCCCCCCCCCC(=O)O`
ZINC2378809	0.577	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCC(=O)CCCCCCC(=O)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.