Protein profile

VK055_1781

peptidoglycan-associated lipoprotein

Genome: KpATCC43816

Gene: AIK80394.1 pal Structure source: AlphaFold + ColabFold UniProt A0A0H3GQC1
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Amino acids 174
Annotations 3
Features 34
PDB binders 7
Druggability 0.206

Overview

Basic information about this protein and its source genome.

Accession
VK055_1781
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK80394.1 pal
Status
annotated
Amino acids
174
Structure source
AlphaFold + ColabFold
GO
GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0051301 The process resulting in division and partitioning of components of a cell to form more cells; may or may not be accompanied by the physical separation of a cell into distinct, individually membrane-bounded daughter cells. GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
59.77
DEG E-value
6.599999999999999e-67
Localization
OuterMembrane
ColabFold pLDDT
83.04

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 0.206
Structure A0A0H3GQC1
Pocket Pocket 4
P2Rank 0.004
Structure A0A0H3GQC1
Pocket Pocket 1
ColabFold model
FPocket 0.251 · Pocket 3
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 143 / 4744 genomes with a hit
Normalized 0.03

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0051301 The process resulting in division and partitioning of components of a cell to form more cells; may or may not be accompanied by the physical separation of a cell into distinct, individually membrane-bounded daughter cells.
  • GO:0009279 A lipid bilayer that forms the outermost membrane of the cell envelope; enriched in polysaccharide and protein; the outer leaflet of the membrane contains specific lipopolysaccharide structures.

Sequence Features

Domain/signature hits from InterPro and related databases.

34 records
Show feature table
Start End DB Term Name
1 21 SignalP_EUK SignalP-noTM SignalP-noTM
45 174 Gene3D G3DSA:3.30.1330.60 -
45 174 InterPro IPR036737 OmpA-like domain superfamily
1 5 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
72 174 NCBIfam TIGR02802 peptidoglycan-associated lipoprotein Pal
72 174 InterPro IPR014169 Peptidoglycan-associated lipoprotein, C-terminal
1 18 Phobius SIGNAL_PEPTIDE Signal peptide region
60 169 PANTHER PTHR30329 STATOR ELEMENT OF FLAGELLAR MOTOR COMPLEX
1 20 SignalP_GRAM_NEGATIVE SignalP-noTM SignalP-noTM
45 174 FunFam G3DSA:3.30.1330.60:FF:000002 Peptidoglycan-associated lipoprotein
61 174 ProSiteProfiles PS51123 OmpA-like domain profile.
61 174 InterPro IPR006665 OmpA-like domain
72 173 CDD cd07185 OmpA_C-like
72 173 InterPro IPR006665 OmpA-like domain
73 168 Pfam PF00691 OmpA family
73 168 InterPro IPR006665 OmpA-like domain
1 20 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
19 174 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 22 ProSiteProfiles PS51257 Prokaryotic membrane lipoprotein lipid attachment site profile.
61 173 SUPERFAMILY SSF103088 OmpA-like
61 173 InterPro IPR036737 OmpA-like domain superfamily
15 18 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
106 150 ProSitePatterns PS01068 OmpA-like domain.
106 150 InterPro IPR006690 Outer membrane protein, OmpA-like, conserved site
104 119 PRINTS PR01021 OMPA domain signature
104 119 InterPro IPR006664 Outer membrane protein, bacterial
119 135 PRINTS PR01021 OMPA domain signature
119 135 InterPro IPR006664 Outer membrane protein, bacterial
74 96 PRINTS PR01021 OMPA domain signature
74 96 InterPro IPR006664 Outer membrane protein, bacterial
31 58 MobiDBLite mobidb-lite consensus disorder prediction
6 14 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
5 174 Hamap MF_02204 Peptidoglycan-associated lipoprotein [pal].
5 174 InterPro IPR039001 Peptidoglycan-associated lipoprotein

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_A0A0H3GQC1
AlphaFold — — full sequence — Viewing
ColabFold VK055_1781
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
4 0.206

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.

57 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
5GP
5Y61
Q9I4L6 363.2 Da LogP -2.57 TPSA 206.0 1 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O…
7QA
5U1H
P13794 305.3 Da LogP -1.21 TPSA 179.0 1 viol. ✓ Clean C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)O)N)NC(…
API
5LKW
B4EDC1 190.2 Da LogP -1.02 TPSA 126.6 ✓ Ro5 ✓ Clean C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N
C8E
4RLC
P13794 306.4 Da LogP 2.41 TPSA 57.2 ✓ Ro5 ✓ Clean CCCCCCCCOCCOCCOCCOCCO
CXS
5N2C
B4EDC1 221.3 Da LogP 1.19 TPSA 66.4 ✓ Ro5 ✓ Clean C1CCC(CC1)NCCCS(=O)(=O)O
OXL
5N2C
B4EDC1 88.0 Da LogP -3.51 TPSA 80.3 ✓ Ro5 ✓ Clean C(=O)(C(=O)[O-])[O-]
POP
4PWT
A0A2U2GZX0 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.