Protein profile

KP13_00452

Phosphonates transport ATP-binding protein phnK

Genome: KpKP13

Gene: phnK AHE46814.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GL53
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Amino acids 252
Annotations 4
Features 19
PDB binders 6
Druggability 0.396

Overview

Basic information about this protein and its source genome.

Accession
KP13_00452
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
phnK AHE46814.1
Status
annotated
Amino acids
252
Structure source
AlphaFold + ColabFold
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:0019700 The chemical reactions and pathways resulting in the breakdown of phosphonates, any organic compound containing one or more C-PO(OH)2 or C-PO(OR)2 (with R=alkyl, aryl) groups. Catabolism of phosphonic acid itself, an inorganic compound without the biochemically relevant C-P bond, is not included. GO:0015833 The directed movement of peptides, compounds of two or more amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another, 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 (%)
33.735
Human E-value
3.22e-06
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
CytoplasmicMembrane
ColabFold pLDDT
94.72

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 0.396
Structure A0A0H3GL53
Pocket Pocket 1
P2Rank 0.331
Structure A0A0H3GL53
Pocket Pocket 1
ColabFold model
FPocket 0.449 · Pocket 5
P2Rank 0.324 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 91 / 4744 genomes with a hit
Normalized 0.019

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

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:0019700 The chemical reactions and pathways resulting in the breakdown of phosphonates, any organic compound containing one or more C-PO(OH)2 or C-PO(OR)2 (with R=alkyl, aryl) groups. Catabolism of phosphonic acid itself, an inorganic compound without the biochemically relevant C-P bond, is not included.
  • GO:0015833 The directed movement of peptides, compounds of two or more amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another, 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.

19 records
Show feature table
Start End DB Term Name
4 252 FunFam G3DSA:3.40.50.300:FF:001017 Phosphonate C-P lyase system protein PhnK
6 246 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
6 246 InterPro IPR003439 ABC transporter-like, ATP-binding domain
146 160 ProSitePatterns PS00211 ABC transporters family signature.
146 160 InterPro IPR017871 ABC transporter-like, conserved site
30 223 SMART SM00382 AAA_5
30 223 InterPro IPR003593 AAA+ ATPase domain
22 173 Pfam PF00005 ABC transporter
22 173 InterPro IPR003439 ABC transporter-like, ATP-binding domain
3 248 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
3 248 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
3 252 Gene3D G3DSA:3.40.50.300 -
3 252 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
1 252 PIRSF PIRSF037116 PhnK
1 252 InterPro IPR012700 ATP-binding protein PhnK
3 250 NCBIfam TIGR02323 phosphonate C-P lyase system protein PhnK
3 250 InterPro IPR012700 ATP-binding protein PhnK
2 251 PANTHER PTHR42764 PHOSPHONATES UTILIZATION ATP-BINDING PROTEIN PHNK-RELATED
5 228 CDD cd03257 ABC_NikE_OppD_transporters

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_A0A0H3GL53
AlphaFold — — full sequence — Viewing
ColabFold KP13_00452
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 0.396

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 3.91 0.154

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.

56 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
VO4
7D0A
A0A086HZU3 114.9 Da LogP -3.69 TPSA 86.2 ✓ Ro5 ✓ Clean [O-][V](=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.