Protein profile

KP13_02122

Amino acid ABC superfamily ATP binding cassette transporter, binding protein

Genome: KpKP13

Gene: AHE46122.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GK59

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Amino acids 286

Annotations 5

Features 20

PDB binders 0

Druggability 0.294

Overview

Basic information about this protein and its source genome.

Accession: KP13_02122
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE46122.1
Status: annotated
Amino acids: 286
Structure source: AlphaFold + ColabFold

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0015276 Enables the transmembrane transfer of an ion by a channel that opens when a specific ligand has been bound by the channel complex or one of its constituent parts. GO:0005576 The space external to the outermost structure of a cell. For cells without external protective or external encapsulating structures this refers to space outside of the plasma membrane. This term covers the host cell environment outside an intracellular parasite. GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall. GO:0006865 The directed movement of amino acids, organic acids containing one or more amino substituents, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 42.466
Human E-value: 3.55e-06
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Periplasmic
ColabFold pLDDT: 91.19

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 0.294

Structure A0A0H3GK59

Pocket Pocket 1

P2Rank 0.153

Structure A0A0H3GK59

Pocket Pocket 1

ColabFold model

FPocket 0.187 · Pocket 3

P2Rank 0.066 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 84 / 4744 genomes with a hit

Normalized 0.018

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0015276 Enables the transmembrane transfer of an ion by a channel that opens when a specific ligand has been bound by the channel complex or one of its constituent parts.
GO:0005576 The space external to the outermost structure of a cell. For cells without external protective or external encapsulating structures this refers to space outside of the plasma membrane. This term covers the host cell environment outside an intracellular parasite.
GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
GO:0006865 The directed movement of amino acids, organic acids containing one or more amino substituents, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records

Show feature table

Start	End	DB	Term	Name
15	279	PANTHER	PTHR30085	AMINO ACID ABC TRANSPORTER PERMEASE
75	88	ProSitePatterns	PS01039	Bacterial extracellular solute-binding proteins, family 3 signature.
75	88	InterPro	IPR018313	Solute-binding protein family 3, conserved site
36	40	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
1	40	Phobius	SIGNAL_PEPTIDE	Signal peptide region
25	35	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
41	286	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	40	SignalP_EUK	SignalP-noTM	SignalP-noTM
43	270	CDD	cd13689	PBP2_BsGlnH
51	271	SMART	SM00079	GluR_14
51	271	InterPro	IPR001320	Ionotropic glutamate receptor, C-terminal
51	272	SMART	SM00062	AABind_6
51	272	InterPro	IPR001638	Solute-binding protein family 3/N-terminal domain of MltF
139	230	Gene3D	G3DSA:3.40.190.10	-
52	270	Pfam	PF00497	Bacterial extracellular solute-binding proteins, family 3
52	270	InterPro	IPR001638	Solute-binding protein family 3/N-terminal domain of MltF
1	40	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
22	271	SUPERFAMILY	SSF53850	Periplasmic binding protein-like II
1	24	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
45	265	Gene3D	G3DSA:3.40.190.10	-

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_A0A0H3GK59	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_02122	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				0.294

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				3.39	0.121

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.

50 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).

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
ZINC1709624	0.600	248.2 Da LogP -2.17 TPSA 167.0	✓ Ro5	✓ Clean	`N[C@H](CC(=O)N[C@H](CC(=O)O)C(=O)O)C(=O)O`
ZINC4155291	0.583	216.2 Da LogP -1.37 TPSA 130.8	✓ Ro5	✓ Clean	`CC(=O)/N=C(\N)NCCC[C@H](N)C(=O)O`
ZINC4155299	0.583	216.2 Da LogP -1.37 TPSA 130.8	✓ Ro5	✓ Clean	`CC(=O)/N=C(\N)NCCC[C@@H](N)C(=O)O`
ZINC1575288	0.560	248.2 Da LogP -2.17 TPSA 167.0	✓ Ro5	✓ Clean	`N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC1575289	0.560	248.2 Da LogP -2.17 TPSA 167.0	✓ Ro5	✓ Clean	`N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC1575290	0.560	248.2 Da LogP -2.17 TPSA 167.0	✓ Ro5	✓ Clean	`N[C@@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O`
ZINC1575291	0.560	248.2 Da LogP -2.17 TPSA 167.0	✓ Ro5	✓ Clean	`N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O`
ZINC144076260	0.559	232.2 Da LogP -0.84 TPSA 129.7	✓ Ro5	✓ Clean	`N[C@@H](CCCCNC(=O)CC(=O)O)C(=O)O`
ZINC218922593	0.559	204.2 Da LogP -1.32 TPSA 112.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCNC(=O)CO)C(=O)O`
ZINC2516116	0.559	275.3 Da LogP -1.12 TPSA 155.7	✓ Ro5	✓ Clean	`N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(=O)O`
ZINC4545887	0.559	275.3 Da LogP -1.12 TPSA 155.7	✓ Ro5	✓ Clean	`N[C@@H](CCCCNC(=O)CC[C@@H](N)C(=O)O)C(=O)O`
ZINC4545888	0.559	275.3 Da LogP -1.12 TPSA 155.7	✓ Ro5	✓ Clean	`N[C@@H](CCC(=O)NCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC4545889	0.559	275.3 Da LogP -1.12 TPSA 155.7	✓ Ro5	✓ Clean	`N[C@H](CCCCNC(=O)CC[C@@H](N)C(=O)O)C(=O)O`
ZINC50027904	0.559	261.3 Da LogP -1.51 TPSA 155.7	✓ Ro5	✓ Clean	`N[C@@H](CCCCNC(=O)C[C@H](N)C(=O)O)C(=O)O`
ZINC12503853	0.556	201.3 Da LogP 0.55 TPSA 99.2	✓ Ro5	✓ Clean	`CCCC(=N)NCCC[C@H](N)C(=O)O`
ZINC1640080	0.556	232.3 Da LogP 0.70 TPSA 101.6	✓ Ro5	✓ Clean	`CC(C)(C)OC(=O)NCCC[C@H](N)C(=O)O`
ZINC217503161	0.556	230.3 Da LogP 0.88 TPSA 92.4	✓ Ro5	✓ Clean	`CCCCC(=O)NCCCC[C@H](N)C(=O)O`
ZINC2560765	0.556	232.3 Da LogP 0.70 TPSA 101.6	✓ Ro5	✓ Clean	`CC(C)(C)OC(=O)NCCC[C@@H](N)C(=O)O`
ZINC3055005	0.556	204.2 Da LogP -0.63 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCC[C@H](N)C(=O)O)C(=O)O`
ZINC3055007	0.556	204.2 Da LogP -0.63 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC3055010	0.556	204.2 Da LogP -0.63 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC675038108	0.556	231.3 Da LogP -1.49 TPSA 123.3	1 viol.	✓ Clean	`CNC(NC)C(=N)NCCC[C@H](N)C(=O)O`
ZINC100017163	0.553	213.3 Da LogP 0.71 TPSA 99.2	✓ Ro5	✓ Clean	`C/C=C/CC(=N)NCCC[C@H](N)C(=O)O`
ZINC19796052	0.553	219.2 Da LogP -1.73 TPSA 156.9	✓ Ro5	✓ Clean	`N/C(=N\[N+](=O)[O-])NCCC[C@H](N)C(=O)O`
ZINC21982226	0.553	219.2 Da LogP -1.73 TPSA 156.9	✓ Ro5	✓ Clean	`N/C(=N\[N+](=O)[O-])NCCC[C@@H](N)C(=O)O`
ZINC5113209	0.548	275.3 Da LogP -0.26 TPSA 138.7	✓ Ro5	✓ Clean	`N[C@@H](CCCCNCCCC[C@H](N)C(=O)O)C(=O)O`
ZINC6360447	0.543	222.3 Da LogP 0.37 TPSA 75.3	✓ Ro5	✓ Clean	`N[C@H](CCCCNC(=S)S)C(=O)O`
ZINC1530092	0.541	254.2 Da LogP -1.61 TPSA 168.8	1 viol.	✓ Clean	`N=C(NCCC[C@H](N)C(=O)O)NP(=O)(O)O`
ZINC230402790	0.541	214.3 Da LogP 0.26 TPSA 92.4	✓ Ro5	✓ Clean	`C/C=C/C(=O)NCCCC[C@H](N)C(=O)O`
ZINC237993466	0.541	214.3 Da LogP 0.26 TPSA 92.4	✓ Ro5	✓ Clean	`C/C=C/C(=O)NCCCC[C@@H](N)C(=O)O`
ZINC5965908	0.541	202.3 Da LogP -1.03 TPSA 99.7	✓ Ro5	✓ Clean	`C/N=C(\NC)NCCC[C@H](N)C(=O)O`
ZINC1555366	0.536	232.3 Da LogP 0.15 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O`
ZINC1555367	0.536	232.3 Da LogP 0.15 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1555369	0.536	232.3 Da LogP 0.15 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1720127	0.536	218.3 Da LogP -0.24 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O`
ZINC1720128	0.536	218.3 Da LogP -0.24 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1720130	0.536	218.3 Da LogP -0.24 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1565131	0.528	200.2 Da LogP -0.13 TPSA 92.4	✓ Ro5	✓ Clean	`C=CC(=O)NCCCC[C@@H](N)C(=O)O`
ZINC1567145	0.528	218.3 Da LogP 0.31 TPSA 101.6	✓ Ro5	✓ Clean	`CCOC(=O)NCCCC[C@@H](N)C(=O)O`
ZINC1608689	0.528	202.3 Da LogP 0.09 TPSA 92.4	✓ Ro5	✓ Clean	`CCCCNC(=O)CC[C@H](N)C(=O)O`
ZINC1737889	0.528	245.3 Da LogP -0.33 TPSA 118.4	✓ Ro5	✓ Clean	`CC(C)[C@H](N)C(=O)NCCCC[C@H](N)C(=O)O`
ZINC1737892	0.528	245.3 Da LogP -0.33 TPSA 118.4	✓ Ro5	✓ Clean	`CC(C)[C@@H](N)C(=O)NCCCC[C@H](N)C(=O)O`
ZINC1737894	0.528	245.3 Da LogP -0.33 TPSA 118.4	✓ Ro5	✓ Clean	`CC(C)[C@H](N)C(=O)NCCCC[C@@H](N)C(=O)O`
ZINC1737898	0.528	245.3 Da LogP -0.33 TPSA 118.4	✓ Ro5	✓ Clean	`CC(C)[C@@H](N)C(=O)NCCCC[C@@H](N)C(=O)O`
ZINC2027403	0.528	200.2 Da LogP -0.13 TPSA 92.4	✓ Ro5	✓ Clean	`C=CC(=O)NCCCC[C@H](N)C(=O)O`
ZINC2041390	0.528	218.3 Da LogP 0.31 TPSA 101.6	✓ Ro5	✓ Clean	`CCOC(=O)NCCCC[C@H](N)C(=O)O`
ZINC2045835	0.528	202.3 Da LogP 0.09 TPSA 92.4	✓ Ro5	✓ Clean	`CCCCNC(=O)CC[C@@H](N)C(=O)O`
ZINC2384794	0.528	242.2 Da LogP 0.25 TPSA 92.4	✓ Ro5	✓ Clean	`N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O`
ZINC6292525	0.528	242.2 Da LogP 0.25 TPSA 92.4	✓ Ro5	✓ Clean	`N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O`
ZINC71754172	0.528	246.3 Da LogP -0.45 TPSA 129.7	✓ Ro5	✓ Clean	`N[C@@H](CCCCNC(=O)CCC(=O)O)C(=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.