Protein profile

KP13_05551

Periplasmic binding protein/LacI transcriptional regulator family protein

Genome: KpKP13

Gene: AHE44557.1 Structure source: Experimental + ColabFold UniProt A6T990

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Amino acids 317

Annotations 0

Features 15

PDB binders 3

Druggability 0.5

Overview

Basic information about this protein and its source genome.

Accession: KP13_05551
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE44557.1
Status: annotated
Amino acids: 317
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): N
DEG identity (%): 0.0
Localization: Unknown
ColabFold pLDDT: 92.55

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 0.5

Structure 5HSG

Pocket Pocket 3

P2Rank 0.156

Structure 5HSG

Pocket Pocket 1

ColabFold model

FPocket 0.305 · Pocket 8

P2Rank 0.149 · Pocket 1

Core conservation Accessory gene

Roary accessory

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.

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

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records

Show feature table

Start	End	DB	Term	Name
1	30	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
1	30	Phobius	SIGNAL_PEPTIDE	Signal peptide region
31	317	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	10	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
133	309	Gene3D	G3DSA:3.40.50.2300	-
23	30	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
1	30	SignalP_EUK	SignalP-noTM	SignalP-noTM
33	312	SUPERFAMILY	SSF53822	Periplasmic binding protein-like I
33	312	InterPro	IPR028082	Periplasmic binding protein-like I
11	22	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
34	313	CDD	cd06317	PBP1_ABC_sugar_binding-like
51	297	Gene3D	G3DSA:3.40.50.2300	-
13	312	PANTHER	PTHR46847	D-ALLOSE-BINDING PERIPLASMIC PROTEIN-RELATED
43	291	Pfam	PF13407	Periplasmic binding protein domain
43	291	InterPro	IPR025997	Periplasmic binding protein

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 5HSG	X-ray	20.00 Å	-	—	PDBe RCSB PDBj File	Viewing
ColabFold KP13_05551	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
3				0.5

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				3.95	0.156
2				1.44	0.019

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
8				0.305

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				1.68	0.029

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
BDR	3KSM	Q2S7D2	150.1 Da LogP -2.58 TPSA 90.2	✓ Ro5	✓ Clean	`C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O`
GZL	2VK2	P39325	180.2 Da LogP -3.22 TPSA 110.4	✓ Ro5	✓ Clean	`C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O`
RIP	4ZJP	A6VKT0	150.1 Da LogP -2.58 TPSA 90.2	✓ Ro5	✓ Clean	`C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)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
ZINC15657695	0.955	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H](O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@…`
ZINC25721048	0.955	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H](O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C…`
ZINC25721054	0.955	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H](O)[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@…`
ZINC4726901	0.955	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@…`
ZINC4726902	0.955	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C…`
ZINC4726903	0.955	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H](O)[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C…`
ZINC4726904	0.955	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H](O)[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[…`
ZINC4403098	0.630	240.2 Da LogP -4.50 TPSA 150.8	1 viol.	✓ Clean	`OC[C@H](O)[C@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@@…`
ZINC4403099	0.630	240.2 Da LogP -4.50 TPSA 150.8	1 viol.	✓ Clean	`OC[C@@H](O)[C@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@…`
ZINC4403100	0.630	240.2 Da LogP -4.50 TPSA 150.8	1 viol.	✓ Clean	`OC[C@H](O)[C@@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@…`
ZINC4403101	0.630	240.2 Da LogP -4.50 TPSA 150.8	1 viol.	✓ Clean	`OC[C@@H](O)[C@@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C…`
ZINC104251170	0.600	207.2 Da LogP -2.65 TPSA 93.4	✓ Ro5	✓ Clean	`CN(C)[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O`
ZINC203488208	0.600	207.2 Da LogP -2.65 TPSA 93.4	✓ Ro5	✓ Clean	`CN(C)[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O`
ZINC257346191	0.600	207.2 Da LogP -2.65 TPSA 93.4	✓ Ro5	✓ Clean	`CN(C)[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O`
ZINC257346192	0.600	207.2 Da LogP -2.65 TPSA 93.4	✓ Ro5	✓ Clean	`CN(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O`
ZINC12953172	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H…`
ZINC12953178	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H]…`
ZINC13543637	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]…`
ZINC13544387	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@@…`
ZINC13544561	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H…`
ZINC16051576	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O[C@H]2[C@@H](CO)O[C@@H](O)[C@H…`
ZINC1857777749	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H…`
ZINC2382416917	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@@H](O)[C@@…`
ZINC2382416919	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@@H](O)[C@@…`
ZINC2382416920	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[C…`
ZINC2383776696	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O[C@H]2[C@H](CO)O[C@@H](O)[C@H…`
ZINC2383776697	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O[C@H]2[C@H](CO)O[C@@H](O)[C@H…`
ZINC2383776699	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O[C@H]2[C@H](CO)O[C@@H](O)[C@@…`
ZINC238808850	0.593	666.6 Da LogP -9.75 TPSA 347.8	3 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC…`
ZINC238808929	0.593	828.7 Da LogP -11.92 TPSA 427.0	3 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]…`
ZINC238809271	0.593	990.9 Da LogP -14.10 TPSA 506.1	3 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]…`
ZINC238809273	0.593	990.9 Da LogP -14.10 TPSA 506.1	3 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]…`
ZINC245204569	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@H]…`
ZINC253615788	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H…`
ZINC35262676	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@…`
ZINC3830983	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H…`
ZINC3830985	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H…`
ZINC38599727	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H]…`
ZINC4095490	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H]…`
ZINC4095711	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H]…`
ZINC4096704	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](…`
ZINC4228251	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](…`
ZINC4261772	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@…`
ZINC44185569	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H…`
ZINC575127216	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@@…`
ZINC575127217	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@@…`
ZINC599389315	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]…`
ZINC64219263	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@…`
ZINC72283167	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]…`
ZINC958527474	0.593	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@@H…`

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.