Protein profile

PA4085

chaperone CupB2

Genome: NC_002516.2

Gene: cupB2 PA4085 Structure source: Experimental + AlphaFold UniProt Q9HWU3
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Amino acids 248
Annotations 5
Features 33
PDB binders 3
Druggability 0.743

Overview

Basic information about this protein and its source genome.

Accession
PA4085
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
cupB2 PA4085
Status
annotated
Amino acids
248
Structure source
Experimental + AlphaFold
GO
GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall. GO:0044183 Binding to a protein or a protein-containing complex to assist the protein folding process. GO:0071555 A process that results in the assembly, arrangement of constituent parts, or disassembly of the cell wall, the rigid or semi-rigid envelope lying outside the cell membrane of plant, fungal and most prokaryotic cells, maintaining their shape and protecting them from osmotic lysis. GO:0043711 A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of a pilus, a short filamentous structure on a bacterial cell, flagella-like in structure and generally present in many copies. GO:0061077 OBSOLETE. The process of inhibiting aggregation and assisting in the covalent and noncovalent assembly of single chain polypeptides or multisubunit complexes into the correct tertiary structure that is dependent on interaction with a chaperone.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Periplasmic

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 0.743
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MAPLMHRFHSFVAASAVAIALCVGTAHAGLIAQGTRVVFPASEREVTLRVSNTSGTPVLAQAWIDDGRQDVPPEELQVPFSVTPAVTRVEPNGGAVLRIAYLKAPLPTDRESLFWLNILEVPPRDEDENNALQFSFRSRFKLFFRPSQLKSVDSAAGKLQWKFLESGGAGKKTVVQVNNPTPYYVSFASVELIVDGRVMSVGKGMVAPFSTKEFDWQGNPKNMEAASVRYEVINDYGGRNTHDRALGK

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
  • GO:0044183 Binding to a protein or a protein-containing complex to assist the protein folding process.
  • GO:0071555 A process that results in the assembly, arrangement of constituent parts, or disassembly of the cell wall, the rigid or semi-rigid envelope lying outside the cell membrane of plant, fungal and most prokaryotic cells, maintaining their shape and protecting them from osmotic lysis.
  • GO:0043711 A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of a pilus, a short filamentous structure on a bacterial cell, flagella-like in structure and generally present in many copies.
  • GO:0061077 OBSOLETE. The process of inhibiting aggregation and assisting in the covalent and noncovalent assembly of single chain polypeptides or multisubunit complexes into the correct tertiary structure that is dependent on interaction with a chaperone.

Sequence Features

Domain/signature hits from InterPro and related databases.

33 records
Show feature table
Start End DB Term Name
29 248 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
24 28 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
25 149 SUPERFAMILY SSF49354 PapD-like
25 149 InterPro IPR008962 PapD-like superfamily
1 28 SignalP_EUK SignalP-noTM SignalP-noTM
1 245 PANTHER PTHR30251 PILUS ASSEMBLY CHAPERONE
30 150 Pfam PF00345 Pili and flagellar-assembly chaperone, PapD N-terminal domain
30 150 InterPro IPR016147 Pili assembly chaperone, N-terminal
31 150 Gene3D G3DSA:2.60.40.10 Immunoglobulins
31 150 InterPro IPR013783 Immunoglobulin-like fold
106 123 ProSitePatterns PS00635 Gram-negative pili assembly chaperone signature.
106 123 InterPro IPR018046 Pili assembly chaperone, conserved site
9 31 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 11 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
1 28 Phobius SIGNAL_PEPTIDE Signal peptide region
151 242 SUPERFAMILY SSF49584 Periplasmic chaperone C-domain
151 242 InterPro IPR036316 Pili assembly chaperone, C-terminal domain superfamily
151 248 Gene3D G3DSA:2.60.40.10 Immunoglobulins
151 248 InterPro IPR013783 Immunoglobulin-like fold
30 39 PRINTS PR00969 Pili chaperone signature
30 39 InterPro IPR001829 Pili assembly chaperone, bacterial
172 187 PRINTS PR00969 Pili chaperone signature
172 187 InterPro IPR001829 Pili assembly chaperone, bacterial
131 146 PRINTS PR00969 Pili chaperone signature
131 146 InterPro IPR001829 Pili assembly chaperone, bacterial
107 124 PRINTS PR00969 Pili chaperone signature
107 124 InterPro IPR001829 Pili assembly chaperone, bacterial
79 100 PRINTS PR00969 Pili chaperone signature
79 100 InterPro IPR001829 Pili assembly chaperone, bacterial
177 240 Pfam PF02753 Pili assembly chaperone PapD, C-terminal domain
177 240 InterPro IPR016148 Pili assembly chaperone, C-terminal
12 23 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 28 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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Structural evidence

1 + 1

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

Entry Method Resolution Chain Coverage Links Status
PDB 3Q48
X-ray 2.50 Å A,B
100.0% 1-248
PDBe RCSB PDBj File
Viewing
AlphaFold PA4085
AlphaFold — — 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
1 0.743
5 0.234

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 1.04 0.006

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.

3 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
EC2
2XG5
P15319 453.6 Da LogP 5.94 TPSA 59.3 1 viol. ✓ Clean c1ccc(cc1)[C@@H]2[C@H](N3C(=O)C=C(C(=C3S2)C4CC4…
EC5
2XG5
P15319 471.6 Da LogP 5.90 TPSA 79.5 1 viol. ✓ Clean c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C2SO)C3C…
XC2
2XG4
P15319 476.6 Da LogP 4.03 TPSA 71.8 ✓ Ro5 ✓ Clean c1ccc2c(c1)cccc2CC3=C(C(=O)N4[C@@H](CSC4=C3C5CC…

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.