Protein profile

KP13_01205

Spermidine/putrescine import ATP-binding protein potA

Genome: KpKP13

Gene: AHE46576.1 potA Structure source: AlphaFold + ColabFold UniProt A0A485T8M3
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Amino acids 355
Annotations 5
Features 18
PDB binders 7
Druggability 0.791

Overview

Basic information about this protein and its source genome.

Accession
KP13_01205
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE46576.1 potA
Status
annotated
Amino acids
355
Structure source
AlphaFold + ColabFold
EC
3.6.3.31
GO
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0016887 Catalysis of the reaction: ATP + H2O = ADP + H+ phosphate. ATP hydrolysis is used in some reactions as an energy source, for example to catalyze a reaction or drive transport against a concentration gradient. 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:0140359 Primary active transporter characterized by two nucleotide-binding domains and two transmembrane domains. Uses the energy generated from ATP hydrolysis to drive the transport of a substance across a membrane.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
33.621
Human E-value
8.3e-06
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
42.0
DEG E-value
3.1800000000000004e-85
Localization
Cytoplasmic
ColabFold pLDDT
93.6

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 0.791
Structure A0A485T8M3
Pocket Pocket 3
P2Rank 0.29
Structure A0A485T8M3
Pocket Pocket 1
ColabFold model
FPocket 0.305 · Pocket 5
P2Rank 0.35 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 56 / 4744 genomes with a hit
Normalized 0.012

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

4
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0016887 Catalysis of the reaction: ATP + H2O = ADP + H+ phosphate. ATP hydrolysis is used in some reactions as an energy source, for example to catalyze a reaction or drive transport against a concentration gradient.
  • 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:0140359 Primary active transporter characterized by two nucleotide-binding domains and two transmembrane domains. Uses the energy generated from ATP hydrolysis to drive the transport of a substance across a membrane.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
21 161 Pfam PF00005 ABC transporter
21 161 InterPro IPR003439 ABC transporter-like, ATP-binding domain
4 241 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
4 241 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
221 311 Gene3D G3DSA:2.40.50.100 -
3 220 Gene3D G3DSA:3.40.50.300 -
3 220 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
134 148 ProSitePatterns PS00211 ABC transporters family signature.
134 148 InterPro IPR017871 ABC transporter-like, conserved site
270 352 SUPERFAMILY SSF50331 MOP-like
270 352 InterPro IPR008995 Molybdate/tungstate binding, C-terminal
2 352 PANTHER PTHR42781 SPERMIDINE/PUTRESCINE IMPORT ATP-BINDING PROTEIN POTA
28 211 SMART SM00382 AAA_5
28 211 InterPro IPR003593 AAA+ ATPase domain
1 238 FunFam G3DSA:3.40.50.300:FF:000042 Maltose/maltodextrin ABC transporter, ATP-binding protein
100 120 Coils Coil Coil
4 234 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
4 234 InterPro IPR003439 ABC transporter-like, ATP-binding domain

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

3D visualization script Full viewer

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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_A0A485T8M3
AlphaFold — — full sequence — Viewing
ColabFold KP13_01205
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 0.791
19 0.629

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 4.51 0.193
2 3.65 0.137
3 2.05 0.045
4 1.14 0.009

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.

57 records

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
2BA
7AHE
Q9KIF7 658.4 Da LogP -1.63 TPSA 309.7 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)C…
AGS
3C4J
D0VWX4 523.2 Da LogP -1.51 TPSA 262.1 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
ANP
3C41
D0VWX4 506.2 Da LogP -2.06 TPSA 281.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
AT4
2OLK
D0VWX4 443.3 Da LogP -0.81 TPSA 212.4 2 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
BET
7AHH
Q9KIF7 118.2 Da LogP -0.22 TPSA 37.3 ✓ Ro5 ✓ Clean C[N+](C)(C)CC(=O)O
NH4
1G29
Q9YGA6 18.0 Da LogP 0.38 TPSA 36.5 ✓ Ro5 ✓ Clean [NH4+]
POP
2D62
O57933 176.0 Da LogP -2.08 TPSA 129.9 ✓ Ro5 ✓ Clean O[P@@](=O)([O-])O[P@@](=O)(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.