Protein profile

PA1070

ABC transporter ATP-binding protein

Genome: NC_002516.2

Gene: PA1070 braG Structure source: AlphaFold UniProt P21630
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Amino acids 233
Annotations 8
Features 17
PDB binders 14
Druggability 0.502

Overview

Basic information about this protein and its source genome.

Accession
PA1070
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA1070 braG
Status
annotated
Amino acids
233
Structure source
AlphaFold
GO
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: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:0015658 Enables the transfer of branched-chain amino acids from one side of a membrane to the other. Branched-chain amino acids are amino acids with a branched carbon skeleton without rings. 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.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
32.178
Human E-value
8.3e-21
Gut microbiome off-target
hit
Essential (DEG)
Y
Localization
CytoplasmicMembrane

Selected Druggability evidence

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 0.502
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

8 GO

Gene Ontology (GO)

8
  • 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: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:0015658 Enables the transfer of branched-chain amino acids from one side of a membrane to the other. Branched-chain amino acids are amino acids with a branched carbon skeleton without rings.
  • 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:0015807 The directed movement of L-enantiomer amino acids into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0015803 The directed movement of branched-chain amino acids into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Branched-chain amino acids are amino acids with a branched carbon skeleton without rings.

Sequence Features

Domain/signature hits from InterPro and related databases.

17 records
Show feature table
Start End DB Term Name
17 161 Pfam PF00005 ABC transporter
17 161 InterPro IPR003439 ABC transporter-like, ATP-binding domain
1 232 PANTHER PTHR43820 HIGH-AFFINITY BRANCHED-CHAIN AMINO ACID TRANSPORT ATP-BINDING PROTEIN LIVF
2 223 CDD cd03224 ABC_TM1139_LivF_branched
1 233 FunFam G3DSA:3.40.50.300:FF:000341 High-affinity branched-chain amino acid transport ATP-binding protein
1 233 PIRSF PIRSF039137 ABC_branched_ATPase
1 233 InterPro IPR030660 High-affinity branched-chain amino acid transport ATP-binding protein
134 148 ProSitePatterns PS00211 ABC transporters family signature.
134 148 InterPro IPR017871 ABC transporter-like, conserved site
1 233 Gene3D G3DSA:3.40.50.300 -
1 233 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
2 231 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
2 231 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
2 233 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
2 233 InterPro IPR003439 ABC transporter-like, ATP-binding domain
26 212 SMART SM00382 AAA_5
26 212 InterPro IPR003593 AAA+ ATPase 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 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold PA1070
AlphaFold — — full sequence — Viewing
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
2 0.502
3 0.464
1 0.393

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.

64 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
AE3
6MJP
O30650 134.2 Da LogP 0.03 TPSA 38.7 ✓ Ro5 ✓ Clean CCOCCOCCO
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
JU7
6MJP
O30650 346.5 Da LogP 1.33 TPSA 99.4 ✓ Ro5 ✓ Clean C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H…
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
6MJP
O30650 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…
MA4
6MJP
O30650 508.6 Da LogP -0.84 TPSA 178.5 3 viol. ✓ Clean C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H…
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.