Protein profile

KP13_03432

putative extracellular solute-binding protein, family 5

Genome: KpKP13

Gene: AHE45807.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GPF9

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Amino acids 522

Annotations 2

Features 18

PDB binders 18

Druggability 0.837

Overview

Basic information about this protein and its source genome.

Accession: KP13_03432
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE45807.1
Status: annotated
Amino acids: 522
Structure source: AlphaFold + ColabFold

GO:0043190 A complex for the transport of metabolites into and out of the cell, typically comprised of four domains; two membrane-associated domains and two ATP-binding domains at the intracellular face of the membrane, that form a central pore through the plasma membrane. Each of the four core domains may be encoded as a separate polypeptide or the domains can be fused in any one of a number of ways into multidomain polypeptides. In Bacteria and Archaebacteria, ABC transporters also include substrate binding proteins to bind substrate external to the cytoplasm and deliver it to the transporter. GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.

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: Periplasmic
ColabFold pLDDT: 94.42

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 0.837

Structure A0A0H3GPF9

Pocket Pocket 7

P2Rank 0.809

Structure A0A0H3GPF9

Pocket Pocket 1

ColabFold model

FPocket 0.327 · Pocket 28

P2Rank 0.845 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 64 / 4744 genomes with a hit

Normalized 0.013

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

GO:0043190 A complex for the transport of metabolites into and out of the cell, typically comprised of four domains; two membrane-associated domains and two ATP-binding domains at the intracellular face of the membrane, that form a central pore through the plasma membrane. Each of the four core domains may be encoded as a separate polypeptide or the domains can be fused in any one of a number of ways into multidomain polypeptides. In Bacteria and Archaebacteria, ABC transporters also include substrate binding proteins to bind substrate external to the cytoplasm and deliver it to the transporter.
GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records

Show feature table

Start	End	DB	Term	Name
16	20	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
5	520	PIRSF	PIRSF002741	MppA
5	520	InterPro	IPR030678	Peptide/nickel binding protein, MppA-type
1	20	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
1	20	Phobius	SIGNAL_PEPTIDE	Signal peptide region
23	506	CDD	cd08512	PBP2_NikA_DppA_OppA_like_7
283	498	Gene3D	G3DSA:3.10.105.10	-
5	15	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
70	437	Pfam	PF00496	Bacterial extracellular solute-binding proteins, family 5 Middle
70	437	InterPro	IPR000914	Solute-binding protein family 5 domain
21	522	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
8	508	PANTHER	PTHR30290	PERIPLASMIC BINDING COMPONENT OF ABC TRANSPORTER
8	508	InterPro	IPR039424	Solute-binding protein family 5
21	517	SUPERFAMILY	SSF53850	Periplasmic binding protein-like II
38	203	Gene3D	G3DSA:3.90.76.10	-
204	507	Gene3D	G3DSA:3.40.190.10	-
1	20	SignalP_EUK	SignalP-noTM	SignalP-noTM
1	4	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.

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_A0A0H3GPF9	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_03432	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				0.837

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	14.48	0.724
2	8.2	0.437
3	2.83	0.088
4	2.22	0.054

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
28				0.327

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	15.52	0.755
2	8.01	0.426
3	5.39	0.256
4	1.85	0.036
5	1.13	0.008

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.

68 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
6RP	5L8D	P33590	192.2 Da LogP 0.21 TPSA 72.9	✓ Ro5	✓ Clean	`c1cnn(c1)C(C(=O)O)n2cccn2`
9YH	5ON0	P33590	448.5 Da LogP 2.60 TPSA 110.5	✓ Ro5	Alert	`COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O`
9YK	5ON1	P33590	434.5 Da LogP 2.29 TPSA 121.5	✓ Ro5	Alert	`CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O`
BHN	3MVZ	P33590	388.4 Da LogP 1.57 TPSA 121.5	✓ Ro5	Alert	`c1ccc(c(c1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(…`
BHR	3MW0	P33590	404.4 Da LogP 1.28 TPSA 141.8	✓ Ro5	Alert	`c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc(c2O)O)CC(=O)O)…`
BHZ	3MVW	P33590	372.4 Da LogP 1.87 TPSA 101.3	✓ Ro5	Alert	`c1ccc(cc1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=…`
CMO	5L8D	P33590	28.0 Da LogP -0.04 TPSA 19.9	✓ Ro5	✓ Clean	`[C-]#[O+]`
DTD	3MW0	P33590	152.2 Da LogP 0.10 TPSA 40.5	✓ Ro5	✓ Clean	`C1[C@@H]([C@H](CSS1)O)O`
DTT	1ZLQ	P33590	154.3 Da LogP -0.43 TPSA 40.5	✓ Ro5	✓ Clean	`C([C@@H]([C@H](CS)O)O)S`
DTU	3MVX	P33590	154.3 Da LogP -0.43 TPSA 40.5	✓ Ro5	✓ Clean	`C([C@H]([C@H](CS)O)O)S`
DTV	3MVX	P33590	154.3 Da LogP -0.43 TPSA 40.5	✓ Ro5	✓ Clean	`C([C@H]([C@@H](CS)O)O)S`
EDT	1ZLQ	P33590	292.2 Da LogP -2.07 TPSA 155.7	✓ Ro5	✓ Clean	`C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O`
GDS	3M8U	B8F653	612.6 Da LogP -3.88 TPSA 317.6	3 viol.	✓ Clean	`C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)…`
HCT	3DP8	P33590	190.2 Da LogP 0.03 TPSA 111.9	✓ Ro5	✓ Clean	`C(CC(=O)O)[C@H](CC(=O)O)C(=O)O`
MLI	3M8U	B8F653	102.0 Da LogP -3.12 TPSA 80.3	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(=O)[O-]`
N72	6TFQ	O50271	309.3 Da LogP -3.46 TPSA 184.6	1 viol.	✓ Clean	`C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@…`
N7T	6TFS	O50271	309.3 Da LogP -3.46 TPSA 184.6	1 viol.	✓ Clean	`C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@…`
PER	3MVZ	P33590	32.0 Da LogP -2.38 TPSA 46.1	✓ Ro5	✓ Clean	`[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
ZINC19364242	1.000	292.2 Da LogP -2.07 TPSA 155.7	✓ Ro5	✓ Clean	`O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O`
ZINC19368612	1.000	388.4 Da LogP 1.57 TPSA 121.5	✓ Ro5	Alert	`O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O`
ZINC19419017	0.933	393.3 Da LogP -2.68 TPSA 196.2	✓ Ro5	✓ Clean	`O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O`
ZINC22593216	0.933	494.5 Da LogP -3.30 TPSA 236.8	1 viol.	✓ Clean	`O=C(O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CCN(CC…`
ZINC1769289	0.765	306.3 Da LogP -1.68 TPSA 155.7	✓ Ro5	✓ Clean	`O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O`
ZINC4683946	0.765	320.3 Da LogP -1.29 TPSA 155.7	✓ Ro5	✓ Clean	`O=C(O)CN(CCCCN(CC(=O)O)CC(=O)O)CC(=O)O`
ZINC22451417	0.750	416.5 Da LogP 2.05 TPSA 110.5	✓ Ro5	Alert	`CCOC(=O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O`
ZINC19364891	0.737	204.2 Da LogP -0.98 TPSA 81.1	✓ Ro5	✓ Clean	`CN(C)CCN(CC(=O)O)CC(=O)O`
ZINC19364892	0.737	232.3 Da LogP -0.20 TPSA 81.1	✓ Ro5	✓ Clean	`CCN(CC)CCN(CC(=O)O)CC(=O)O`
ZINC19366122	0.737	278.3 Da LogP -2.16 TPSA 138.6	✓ Ro5	✓ Clean	`O=C(O)CN(CCO)CCN(CC(=O)O)CC(=O)O`
ZINC33806192	0.737	320.3 Da LogP -1.29 TPSA 155.7	✓ Ro5	✓ Clean	`O=C(O)CCN(CCC(=O)O)CCN(CC(=O)O)CC(=O)O`
ZINC5908834	0.737	379.3 Da LogP -2.09 TPSA 196.2	✓ Ro5	✓ Clean	`O=C(O)CN(CCN(CCN(CC(=O)O)CC(=O)O)C(=O)O)CC(=O)O`
ZINC2527900	0.722	205.2 Da LogP -1.07 TPSA 115.1	✓ Ro5	✓ Clean	`O=C(O)CCN(CC(=O)O)CC(=O)O`
ZINC4261886	0.722	348.4 Da LogP -0.51 TPSA 155.7	✓ Ro5	✓ Clean	`O=C(O)CN(CCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O`
ZINC149813449	0.700	278.2 Da LogP -1.48 TPSA 155.7	✓ Ro5	✓ Clean	`O=C(O)CN(CCN(CC(=O)O)C(=O)O)CC(=O)O`
ZINC22576460	0.684	320.3 Da LogP -1.29 TPSA 155.7	✓ Ro5	✓ Clean	`O=C(O)CCN(CCN(CCC(=O)O)CC(=O)O)CC(=O)O`
ZINC216723569	0.675	308.3 Da LogP -3.20 TPSA 173.3	1 viol.	✓ Clean	`NCCCC[C@H](NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C…`
ZINC14880561	0.673	419.5 Da LogP 0.96 TPSA 158.8	✓ Ro5	✓ Clean	`CCCCCCCCSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N…`
ZINC14880563	0.673	419.5 Da LogP 0.96 TPSA 158.8	✓ Ro5	✓ Clean	`CCCCCCCCSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NC…`
ZINC14880565	0.673	419.5 Da LogP 0.96 TPSA 158.8	✓ Ro5	✓ Clean	`CCCCCCCCSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NC…`
ZINC3874923	0.673	391.5 Da LogP 0.18 TPSA 158.8	✓ Ro5	✓ Clean	`CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=…`
ZINC3874924	0.673	391.5 Da LogP 0.18 TPSA 158.8	✓ Ro5	✓ Clean	`CCCCCCSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(…`
ZINC3874925	0.673	391.5 Da LogP 0.18 TPSA 158.8	✓ Ro5	✓ Clean	`CCCCCCSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(…`
ZINC3874926	0.673	391.5 Da LogP 0.18 TPSA 158.8	✓ Ro5	✓ Clean	`CCCCCCSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC…`
ZINC90669676	0.667	377.4 Da LogP -2.57 TPSA 176.0	✓ Ro5	✓ Clean	`O=CCN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O`
ZINC2390999	0.655	275.3 Da LogP -1.99 TPSA 172.8	✓ Ro5	✓ Clean	`NC(=O)CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O`
ZINC22052182	0.650	336.3 Da LogP -2.05 TPSA 164.9	✓ Ro5	✓ Clean	`O=C(O)CN(CCOCCN(CC(=O)O)CC(=O)O)CC(=O)O`
ZINC15261604	0.647	413.5 Da LogP -0.50 TPSA 179.0	1 viol.	✓ Clean	`N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(O)cc1)C(=O)NCC(…`
ZINC4962379	0.647	425.5 Da LogP -0.52 TPSA 175.9	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)N[C@@H](CSCC(=O)c1ccccc1)C(=O)NC…`
ZINC4962381	0.647	425.5 Da LogP -0.52 TPSA 175.9	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)N[C@H](CSCC(=O)c1ccccc1)C(=O)NCC…`
ZINC4962382	0.647	425.5 Da LogP -0.52 TPSA 175.9	✓ Ro5	✓ Clean	`N[C@H](CCC(=O)N[C@@H](CSCC(=O)c1ccccc1)C(=O)NCC…`
ZINC4962383	0.647	425.5 Da LogP -0.52 TPSA 175.9	✓ Ro5	✓ Clean	`N[C@H](CCC(=O)N[C@H](CSCC(=O)c1ccccc1)C(=O)NCC(…`
ZINC4962412	0.647	439.5 Da LogP -0.13 TPSA 175.9	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)N[C@@H](CSCCC(=O)c1ccccc1)C(=O)N…`
ZINC4962414	0.647	439.5 Da LogP -0.13 TPSA 175.9	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)N[C@H](CSCCC(=O)c1ccccc1)C(=O)NC…`
ZINC4962415	0.647	439.5 Da LogP -0.13 TPSA 175.9	✓ Ro5	✓ Clean	`N[C@H](CCC(=O)N[C@@H](CSCCC(=O)c1ccccc1)C(=O)NC…`
ZINC4962416	0.647	439.5 Da LogP -0.13 TPSA 175.9	✓ Ro5	✓ Clean	`N[C@H](CCC(=O)N[C@H](CSCCC(=O)c1ccccc1)C(=O)NCC…`
ZINC217755395	0.636	263.2 Da LogP -1.47 TPSA 147.8	✓ Ro5	✓ Clean	`O=NN(CCN(CC(=O)O)CC(=O)O)CC(=O)O`
ZINC4962336	0.635	415.4 Da LogP -0.06 TPSA 158.8	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(F)cc1)C(=O)NCC(…`
ZINC4962338	0.635	415.4 Da LogP -0.06 TPSA 158.8	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)N[C@H](CSCc1ccc(F)cc1)C(=O)NCC(=…`
ZINC4962340	0.635	415.4 Da LogP -0.06 TPSA 158.8	✓ Ro5	✓ Clean	`N[C@H](CCC(=O)N[C@@H](CSCc1ccc(F)cc1)C(=O)NCC(=…`
ZINC4962342	0.635	415.4 Da LogP -0.06 TPSA 158.8	✓ Ro5	✓ Clean	`N[C@H](CCC(=O)N[C@H](CSCc1ccc(F)cc1)C(=O)NCC(=O…`
ZINC4962384	0.623	440.5 Da LogP -0.94 TPSA 201.9	1 viol.	✓ Clean	`Nc1ccc(C(=O)CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=…`
ZINC4962385	0.623	440.5 Da LogP -0.94 TPSA 201.9	1 viol.	✓ Clean	`Nc1ccc(C(=O)CSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(…`
ZINC4962387	0.623	440.5 Da LogP -0.94 TPSA 201.9	1 viol.	✓ Clean	`Nc1ccc(C(=O)CSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(…`
ZINC4962388	0.623	440.5 Da LogP -0.94 TPSA 201.9	1 viol.	✓ Clean	`Nc1ccc(C(=O)CSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C…`
ZINC4962389	0.623	441.5 Da LogP -0.81 TPSA 196.1	1 viol.	✓ Clean	`N[C@@H](CCC(=O)N[C@@H](CSCC(=O)c1ccc(O)cc1)C(=O…`
ZINC4962391	0.623	441.5 Da LogP -0.81 TPSA 196.1	1 viol.	✓ Clean	`N[C@H](CCC(=O)N[C@@H](CSCC(=O)c1ccc(O)cc1)C(=O)…`
ZINC504287349	0.623	443.5 Da LogP -0.96 TPSA 199.3	1 viol.	✓ Clean	`N[C@H](CCC(=O)N[C@@H](CSC[C@@H](O)c1ccc(O)cc1)C…`
ZINC504287350	0.623	443.5 Da LogP -0.96 TPSA 199.3	1 viol.	✓ Clean	`N[C@H](CCC(=O)N[C@H](CSC[C@H](O)c1ccc(O)cc1)C(=…`
ZINC504287352	0.623	443.5 Da LogP -0.96 TPSA 199.3	1 viol.	✓ Clean	`N[C@H](CCC(=O)N[C@@H](CSC[C@H](O)c1ccc(O)cc1)C(…`

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.