Protein profile

KP13_02118

branched-chain amino acid transport ATP-binding protein

Genome: KpKP13

Gene: AHE46118.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GN98
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Amino acids 260
Annotations 10
Features 15
PDB binders 12
Druggability 0.128

Overview

Basic information about this protein and its source genome.

Accession
KP13_02118
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE46118.1
Status
annotated
Amino acids
260
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:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0015188 Enables the transfer of L-isoleucine from one side of a membrane to the other. L-isoleucine is (2R*,3R*)-2-amino-3-methylpentanoic acid. GO:0015192 Enables the transfer of L-phenylalanine from one side of a membrane to the other. L-phenylalanine is 2-amino-3-phenylpropanoic acid. GO:0005304 Enables the transfer of L-valine from one side of a membrane to the other. L-valine is 2-amino-3-methylbutanoic acid.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
31.915
Human E-value
1.34e-07
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
47.39
DEG E-value
3.89e-82
Localization
Cytoplasmic
ColabFold pLDDT
90.77

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 0.128
Structure A0A0H3GN98
Pocket Pocket 2
P2Rank 0.106
Structure A0A0H3GN98
Pocket Pocket 1
ColabFold model
FPocket 0.147 · Pocket 2
P2Rank 0.262 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 857 / 4744 genomes with a hit
Normalized 0.181

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

10 GO

Gene Ontology (GO)

10
  • 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:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
  • GO:0015188 Enables the transfer of L-isoleucine from one side of a membrane to the other. L-isoleucine is (2R*,3R*)-2-amino-3-methylpentanoic acid.
  • GO:0015192 Enables the transfer of L-phenylalanine from one side of a membrane to the other. L-phenylalanine is 2-amino-3-phenylpropanoic acid.
  • GO:0005304 Enables the transfer of L-valine from one side of a membrane to the other. L-valine is 2-amino-3-methylbutanoic acid.
  • GO:0042941 The process in which D-alanine, the D-enantiomer of 2-aminopropanoic acid, is transported across a lipid bilayer, from one side of a membrane to the other by means of some agent such as a transporter or pore.
  • GO:0015808 The directed movement of L-alanine, the L-enantiomer of 2-aminopropanoic acid, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:1903806 The directed movement of L-isoleucine from outside of a cell, across the plasma membrane and into the cytosol.
  • GO:1903805 The directed movement of L-valine from outside of a cell, across the plasma membrane and into the cytosol.

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records
Show feature table
Start End DB Term Name
8 249 CDD cd03219 ABC_Mj1267_LivG_branched
8 256 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
8 256 InterPro IPR003439 ABC transporter-like, ATP-binding domain
24 183 Pfam PF00005 ABC transporter
24 183 InterPro IPR003439 ABC transporter-like, ATP-binding domain
156 170 ProSitePatterns PS00211 ABC transporters family signature.
156 170 InterPro IPR017871 ABC transporter-like, conserved site
32 232 SMART SM00382 AAA_5
32 232 InterPro IPR003593 AAA+ ATPase domain
6 256 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
6 256 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
3 256 FunFam G3DSA:3.40.50.300:FF:000421 Branched-chain amino acid ABC transporter ATP-binding protein
1 257 Gene3D G3DSA:3.40.50.300 -
1 257 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
3 257 PANTHER PTHR45772 CONSERVED COMPONENT OF ABC TRANSPORTER FOR NATURAL AMINO ACIDS-RELATED

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_A0A0H3GN98
AlphaFold — — full sequence — Viewing
ColabFold KP13_02118
ColabFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

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 2.37 0.062

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.

62 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
AGS
6CVL
P30750 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
6S8G
P0A9V4 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)…
AOV
6MHZ
P0A9V1 544.2 Da LogP -3.05 TPSA 299.4 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
CZJ
6B8B
P0A9V1 586.6 Da LogP 3.32 TPSA 179.8 1 viol. ✓ Clean Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)C34CC5CC(C3)CC(C5…
DCQ
6S8N
P0A9V4 322.4 Da LogP 4.49 TPSA 52.6 ✓ Ro5 Alert CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C
L0W
6S8N
P0A9V4 1814.4 Da LogP 21.50 TPSA 394.5 4 viol. ✓ Clean CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@…
LMD
6S8G
P0A9V4 538.7 Da LogP 0.33 TPSA 178.5 3 viol. ✓ Clean CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](…
LMN
6S8N
P0A9V4 1005.2 Da LogP -1.68 TPSA 357.1 3 viol. ✓ Clean CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H](…
LMT
6S8N
P0A9V4 510.6 Da LogP -0.45 TPSA 178.5 3 viol. ✓ Clean CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1…
MMC
1G9X
Q58663 215.6 Da LogP 0.58 TPSA 0.0 ✓ Ro5 ✓ Clean C[Hg+]
NOV
6MIT
A0A0H3CR83 612.6 Da LogP 3.63 TPSA 200.0 2 viol. ✓ Clean Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C…
TBU
1GAJ
Q58663 74.1 Da LogP 0.78 TPSA 20.2 ✓ Ro5 ✓ Clean CC(C)(C)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.