Protein profile

KP13_03544

Sulfate/thiosulfate import ATP-binding protein cysA

Genome: KpKP13

Gene: AHE43350.1 cysA Structure source: AlphaFold + ColabFold UniProt A0A0H3GWG0
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Amino acids 364
Annotations 6
Features 20
PDB binders 6
Druggability 0.867

Overview

Basic information about this protein and its source genome.

Accession
KP13_03544
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE43350.1 cysA
Status
annotated
Amino acids
364
Structure source
AlphaFold + ColabFold
GO
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:0015419 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: ATP + H2O + sulfate(out) = ADP + phosphate + sulfate(in). GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0008272 OBSOLETE. The directed movement of sulfate into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. 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.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
55.0
Human E-value
1.73e-06
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
52.652
DEG E-value
5.28e-91
Localization
CytoplasmicMembrane
ColabFold pLDDT
91.87

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 0.867
Structure A0A0H3GWG0
Pocket Pocket 15
P2Rank 0.307
Structure A0A0H3GWG0
Pocket Pocket 1
ColabFold model
FPocket 0.221 · Pocket 7
P2Rank 0.34 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 193 / 4744 genomes with a hit
Normalized 0.041

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6
  • 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:0015419 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: ATP + H2O + sulfate(out) = ADP + phosphate + sulfate(in).
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0008272 OBSOLETE. The directed movement of sulfate into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • 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.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records
Show feature table
Start End DB Term Name
2 311 PANTHER PTHR42781 SPERMIDINE/PUTRESCINE IMPORT ATP-BINDING PROTEIN POTA
239 345 SUPERFAMILY SSF50331 MOP-like
239 345 InterPro IPR008995 Molybdate/tungstate binding, C-terminal
2 256 Gene3D G3DSA:3.40.50.300 -
2 256 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
2 256 FunFam G3DSA:3.40.50.300:FF:000227 Sulfate/thiosulfate import ATP-binding protein CysA
1 239 CDD cd03296 ABC_CysA_sulfate_importer
1 239 InterPro IPR005666 Sulphate transport system permease protein 1
3 237 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
3 237 InterPro IPR003439 ABC transporter-like, ATP-binding domain
3 243 NCBIfam TIGR00968 sulfate ABC transporter ATP-binding protein
3 243 InterPro IPR005666 Sulphate transport system permease protein 1
27 214 SMART SM00382 AAA_5
27 214 InterPro IPR003593 AAA+ ATPase domain
18 164 Pfam PF00005 ABC transporter
18 164 InterPro IPR003439 ABC transporter-like, ATP-binding domain
3 244 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
3 244 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
137 151 ProSitePatterns PS00211 ABC transporters family signature.
137 151 InterPro IPR017871 ABC transporter-like, conserved site

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_A0A0H3GWG0
AlphaFold — — full sequence — Viewing
ColabFold KP13_03544
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
15 0.867
1 0.528

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 4.19 0.171
2 2.12 0.049
3 1.9 0.038
4 1.85 0.036

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
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
1OXV
Q97UY8 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)…
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.