Protein profile

PA4687

ferric iron-binding periplasmic protein HitA

Genome: NC_002516.2

Gene: hitA PA4687 Structure source: Experimental + AlphaFold UniProt Q9HVA8
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Amino acids 335
Annotations 2
Features 17
PDB binders 4
Druggability 0.812

Overview

Basic information about this protein and its source genome.

Accession
PA4687
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
hitA PA4687
Status
annotated
Amino acids
335
Structure source
Experimental + AlphaFold
GO
GO:0005615 OBSOLETE. That part of a multicellular organism outside the cells proper, usually taken to be outside the plasma membranes, and occupied by fluid. GO:0046872 Binding to a metal ion.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
Y
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 0.812
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

2
  • GO:0005615 OBSOLETE. That part of a multicellular organism outside the cells proper, usually taken to be outside the plasma membranes, and occupied by fluid.
  • GO:0046872 Binding to a metal ion.

Sequence Features

Domain/signature hits from InterPro and related databases.

17 records
Show feature table
Start End DB Term Name
301 322 MobiDBLite mobidb-lite consensus disorder prediction
28 335 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 27 Phobius SIGNAL_PEPTIDE Signal peptide region
12 334 PIRSF PIRSF002825 CfbpA
12 334 InterPro IPR026045 Ferric binding protein
31 334 CDD cd13543 PBP2_Fbp
45 304 Pfam PF13416 Bacterial extracellular solute-binding protein
45 304 InterPro IPR006059 Bacterial extracellular solute-binding protein
1 11 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
24 27 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
33 303 Gene3D G3DSA:3.40.190.10 -
1 27 SignalP_EUK SignalP-noTM SignalP-noTM
27 323 SUPERFAMILY SSF53850 Periplasmic binding protein-like II
1 27 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
130 321 Gene3D G3DSA:3.40.190.10 -
12 23 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
13 324 PANTHER PTHR30006 THIAMINE-BINDING PERIPLASMIC PROTEIN-RELATED

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

3 + 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 6IWF
X-ray 1.71 Å A,B
91.9% 28-335
PDBe RCSB PDBj File
Viewing
PDB 6J2S
X-ray 1.73 Å A,B
91.6% 29-335
PDBe RCSB PDBj File
Loaded
PDB 6IVY
X-ray 2.00 Å A,B
91.6% 29-335
PDBe RCSB PDBj File
Loaded
AlphaFold PA4687
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
2 0.812
1 0.427
3 0.418
5 0.253

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 13.89 0.703
2 5.01 0.227
3 4.49 0.191
4 2.37 0.062
5 2.3 0.058

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.

54 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
EDT
1NNF
P35755 292.2 Da LogP -2.07 TPSA 155.7 ✓ Ro5 ✓ Clean C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
FLC
6G7Q
Q10Z45 189.1 Da LogP -5.25 TPSA 140.6 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
OXL
2OWS
Q7VXW9 88.0 Da LogP -3.51 TPSA 80.3 ✓ Ro5 ✓ Clean C(=O)(C(=O)[O-])[O-]
ZRC
1XC1
P17259 576.6 Da LogP -10.44 TPSA 282.7 2 viol. ✓ Clean [O-][Zr]123(OP4(=O)O[Zr]5(O1)([O+]2[Zr](O4)(O3)…

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.