Protein profile

VK055_1971

oligopeptide/dipeptide ABC transporter, ATP-binding, C-terminal domain protein

Genome: KpATCC43816

Gene: AIK80577.1 Structure source: AlphaFold + ColabFold UniProt W9BEZ6
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Amino acids 345
Annotations 7
Features 21
PDB binders 6
Druggability 0.457

Overview

Basic information about this protein and its source genome.

Accession
VK055_1971
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK80577.1
Status
annotated
Amino acids
345
Structure source
AlphaFold + ColabFold
EC
7.4.2.10
GO
GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. 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. GO:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose. 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:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
37.975
Human E-value
3.43e-06
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
47.331
DEG E-value
8.01e-75
Localization
CytoplasmicMembrane
ColabFold pLDDT
88.79

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 0.457
Structure W9BEZ6
Pocket Pocket 24
P2Rank 0.317
Structure W9BEZ6
Pocket Pocket 1
ColabFold model
FPocket 0.195 · Pocket 13
P2Rank 0.296 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 124 / 4744 genomes with a hit
Normalized 0.026

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

6
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • 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.
  • GO:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose.
  • 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:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records
Show feature table
Start End DB Term Name
13 323 PANTHER PTHR43776 TRANSPORT ATP-BINDING PROTEIN
262 280 MobiDBLite mobidb-lite consensus disorder prediction
17 261 ProSiteProfiles PS50893 ATP-binding cassette, ABC transporter-type domain profile.
17 261 InterPro IPR003439 ABC transporter-like, ATP-binding domain
39 188 Pfam PF00005 ABC transporter
39 188 InterPro IPR003439 ABC transporter-like, ATP-binding domain
13 331 FunFam G3DSA:3.40.50.300:FF:000016 Oligopeptide ABC transporter ATP-binding component
238 324 NCBIfam TIGR01727 oligopeptide/dipeptide ABC transporter, ATP-binding protein, C-terminal domain
238 324 InterPro IPR013563 Oligopeptide/dipeptide ABC transporter, C-terminal
161 175 ProSitePatterns PS00211 ABC transporters family signature.
161 175 InterPro IPR017871 ABC transporter-like, conserved site
14 335 Gene3D G3DSA:3.40.50.300 -
14 335 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
47 238 SMART SM00382 AAA_5
47 238 InterPro IPR003593 AAA+ ATPase domain
16 243 CDD cd03257 ABC_NikE_OppD_transporters
16 260 SUPERFAMILY SSF52540 P-loop containing nucleoside triphosphate hydrolases
16 260 InterPro IPR027417 P-loop containing nucleoside triphosphate hydrolase
262 286 MobiDBLite mobidb-lite consensus disorder prediction
240 305 Pfam PF08352 Oligopeptide/dipeptide transporter, C-terminal region
240 305 InterPro IPR013563 Oligopeptide/dipeptide ABC transporter, C-terminal

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_W9BEZ6
AlphaFold — — full sequence — Viewing
ColabFold VK055_1971
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
24 0.457

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 4.64 0.201
2 4.0 0.159
3 2.29 0.058
4 1.1 0.008

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…
ACP
5X40
O68106 505.2 Da LogP -1.52 TPSA 269.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
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

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.