Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: KP13_03886
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE45367.1
Status: annotated
Amino acids: 219
Structure source: AlphaFold + ColabFold

GO

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0043066 Any process that stops, prevents, or reduces the frequency, rate or extent of cell death by apoptotic process. GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 30.263
Human E-value: 3.14e-06
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 53.182
DEG E-value: 2.65e-67
Localization: CytoplasmicMembrane
ColabFold pLDDT: 88.04

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 0.704

Structure A0A0H3GQU6

Pocket Pocket 2

P2Rank 0.771

Structure A0A0H3GQU6

Pocket Pocket 1

ColabFold model

FPocket 0.679 · Pocket 2

P2Rank 0.818 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 121 / 4744 genomes with a hit

Normalized 0.026

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0043066 Any process that stops, prevents, or reduces the frequency, rate or extent of cell death by apoptotic process.
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Sequence Features

Domain/signature hits from InterPro and related databases.

29 records

Show feature table

Start	End	DB	Term	Name
194	216	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
45	67	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	19	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
217	219	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
74	96	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
127	132	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
132	154	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
133	154	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
42	46	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
196	216	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
159	181	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
21	40	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
185	195	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
19	213	Pfam	PF01027	Inhibitor of apoptosis-promoting Bax1
19	213	InterPro	IPR006214	Bax inhibitor 1-related
68	78	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
100	104	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
106	125	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
17	217	CDD	cd10433	YccA_like
87	117	ProSitePatterns	PS01243	Bax inhibitor-1 family signature.
87	117	InterPro	IPR006213	Bax inhibitor 1, conserved site
105	126	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
47	67	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
79	99	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
155	159	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
18	215	PANTHER	PTHR23291	BAX INHIBITOR-RELATED
18	215	InterPro	IPR006214	Bax inhibitor 1-related
20	41	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
160	184	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.

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_A0A0H3GQU6	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_03886	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
2				0.704

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	13.49	0.688
2	7.79	0.413
3	3.42	0.123
4	2.06	0.046
5	1.58	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
2				0.679
5				0.288

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	16.19	0.773
2	7.32	0.382
3	3.5	0.128
4	1.62	0.026
5	1.29	0.013

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.

14 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.

No PDB ligands found through similar proteins.

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
CHEMBL4282466	P55061	—	546.7 Da LogP 4.40 TPSA 124.3	1 viol.	✓ Clean	`CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[…`
CHEMBL5590853	P55061	—	709.9 Da LogP 6.10 TPSA 167.1	2 viol.	✓ Clean	`C#CCCC1(CCNC(=O)O[C@H]2C(C)=C[C@]34C(=O)[C@@H](…`
CHEMBL5591567	P55061	—	631.9 Da LogP 5.55 TPSA 142.4	2 viol.	✓ Clean	`CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[…`
CHEMBL5591937	P55061	—	845.0 Da LogP 7.95 TPSA 222.7	3 viol.	✓ Clean	`CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[…`
CHEMBL5593128	P55061	—	668.8 Da LogP 6.41 TPSA 130.4	2 viol.	✓ Clean	`CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[…`

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
ZINC205730915	0.614	446.6 Da LogP 2.95 TPSA 104.1	✓ Ro5	✓ Clean	`CCCCCC(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO…`
ZINC13827723	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@]23C(=O)[C@H](C=C(CO)[C@@H](O)[C@]2(O)[…`
ZINC13827726	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O…`
ZINC2008899	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@@]2(O…`
ZINC253590327	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(O)…`
ZINC253590331	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(O)…`
ZINC253590333	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(O)…`
ZINC27652832	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)…`
ZINC968425	0.551	348.4 Da LogP 0.82 TPSA 98.0	✓ Ro5	✓ Clean	`CC1=C[C@@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@]2(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.

KP13_03886

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