Protein profile

PA4200

hypothetical protein

Genome: NC_002516.2

Gene: PA4200 Structure source: AlphaFold UniProt Q9HWI1

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Amino acids 288

Annotations 2

Features 10

PDB binders 2

Druggability 0.872

Overview

Basic information about this protein and its source genome.

Accession: PA4200
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA4200
Status: annotated
Amino acids: 288
Structure source: AlphaFold

GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc. 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): N
Localization: Cytoplasmic

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 0.872

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)

GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.
GO:0046872 Binding to a metal ion.

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records

Show feature table

Start	End	DB	Term	Name
42	257	Pfam	PF00753	Metallo-beta-lactamase superfamily
42	257	InterPro	IPR001279	Metallo-beta-lactamase
4	273	PANTHER	PTHR42978	QUORUM-QUENCHING LACTONASE YTNP-RELATED-RELATED
2	269	Gene3D	G3DSA:3.60.15.10	-
2	269	InterPro	IPR036866	Ribonuclease Z/Hydroxyacylglutathione hydrolase-like
3	270	SUPERFAMILY	SSF56281	Metallo-hydrolase/oxidoreductase
3	270	InterPro	IPR036866	Ribonuclease Z/Hydroxyacylglutathione hydrolase-like
2	257	CDD	cd16281	metallo-hydrolase-like_MBL-fold
43	257	SMART	SM00849	Lactamase_B_5a
43	257	InterPro	IPR001279	Metallo-beta-lactamase

3D Structure

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

Loading 3D structure...

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Structural evidence

0 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold PA4200	AlphaFold	—	—	full sequence	—	Viewing

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				0.872
3				0.386

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.

52 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

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.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
5PN	4KEQ	Q988B9	165.1 Da LogP 0.77 TPSA 59.4	✓ Ro5	✓ Clean	`Cc1c(c2c(cn1)C(=O)OC2)O`
C6L	4ZO3	I7HB71	217.3 Da LogP 0.52 TPSA 86.6	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@@H](CCO)C(=O)O`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC1595635455	0.765	245.3 Da LogP 1.30 TPSA 86.6	✓ Ro5	✓ Clean	`CCCC[C@H](NC(=O)CCCCCO)C(=O)O`
ZINC28537991	0.735	357.5 Da LogP 4.12 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O`
ZINC28538229	0.735	385.5 Da LogP 4.90 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O`
ZINC28538236	0.735	385.5 Da LogP 4.90 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O`
ZINC28539035	0.735	329.4 Da LogP 3.34 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O`
ZINC28539044	0.735	301.4 Da LogP 2.56 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O`
ZINC28539067	0.735	273.3 Da LogP 1.78 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O`
ZINC390222946	0.735	231.3 Da LogP 0.91 TPSA 86.6	✓ Ro5	✓ Clean	`CCC[C@H](NC(=O)CCCCCO)C(=O)O`
ZINC43617576	0.735	301.4 Da LogP 2.56 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O`
ZINC85808238	0.735	329.4 Da LogP 3.34 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O`
ZINC100951872	0.727	287.4 Da LogP 2.47 TPSA 86.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@H](CO)C(=O)O`
ZINC28538025	0.727	343.5 Da LogP 4.03 TPSA 86.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O`
ZINC28538031	0.727	343.5 Da LogP 4.03 TPSA 86.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)O`
ZINC28539016	0.727	287.4 Da LogP 2.47 TPSA 86.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O`
ZINC28539092	0.727	315.5 Da LogP 3.25 TPSA 86.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O`
ZINC2472231	0.719	201.3 Da LogP 1.55 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@@H](CC)C(=O)O`
ZINC2472233	0.719	201.3 Da LogP 1.55 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@H](CC)C(=O)O`
ZINC100951866	0.697	285.4 Da LogP 3.89 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@@H](CC)C(=O)O`
ZINC22017895	0.697	231.2 Da LogP 0.61 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC22017899	0.697	231.2 Da LogP 0.61 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@H](CC(=O)O)C(=O)O`
ZINC91297097	0.697	285.4 Da LogP 3.89 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@H](CC)C(=O)O`
ZINC100652190	0.694	300.4 Da LogP 1.96 TPSA 109.5	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)O`
ZINC100654638	0.694	328.5 Da LogP 2.74 TPSA 109.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)O`
ZINC141957116	0.694	342.5 Da LogP 4.00 TPSA 92.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)N[C@@H](CCCN)C(=O)O`
ZINC2389656	0.694	247.4 Da LogP 1.89 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@@H](CCSC)C(=O)O`
ZINC28539029	0.694	328.5 Da LogP 2.74 TPSA 109.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O`
ZINC5510744	0.694	247.4 Da LogP 1.89 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCC(=O)N[C@H](CCSC)C(=O)O`
ZINC77286434	0.694	300.4 Da LogP 1.96 TPSA 109.5	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O`
ZINC78044048	0.694	342.5 Da LogP 4.00 TPSA 92.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)N[C@H](CCCN)C(=O)O`
ZINC102998196	0.676	287.4 Da LogP 2.17 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)N[C@H](CC(=O)O)C(=O)O`
ZINC28537968	0.676	371.5 Da LogP 4.51 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC28539157	0.676	315.4 Da LogP 2.95 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC28540190	0.676	315.4 Da LogP 2.95 TPSA 103.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@H](CC(=O)O)C(=O)O`
ZINC100110331	0.676	275.4 Da LogP 2.67 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)N[C@H](CCSC)C(=O)O`
ZINC113625226	0.676	272.4 Da LogP 2.05 TPSA 92.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O`
ZINC1579310	0.676	275.4 Da LogP 2.67 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)N[C@@H](CCSC)C(=O)O`
ZINC28539131	0.676	328.5 Da LogP 3.61 TPSA 92.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O`
ZINC28539161	0.676	331.5 Da LogP 4.23 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O`
ZINC2112807032	0.658	403.6 Da LogP 2.75 TPSA 127.1	✓ Ro5	✓ Clean	`CCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)N[C@H](CO)C…`
ZINC2112807033	0.658	403.6 Da LogP 2.75 TPSA 127.1	✓ Ro5	✓ Clean	`CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)N[C@@H](CO…`
ZINC2112807034	0.658	403.6 Da LogP 2.75 TPSA 127.1	✓ Ro5	✓ Clean	`CCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)N[C@@H](CO)…`
ZINC2112807035	0.658	403.6 Da LogP 2.75 TPSA 127.1	✓ Ro5	✓ Clean	`CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)N[C@H](CO)…`
ZINC64857739	0.632	369.5 Da LogP 4.59 TPSA 86.6	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)C(=O)O`
ZINC64857742	0.632	369.5 Da LogP 4.59 TPSA 86.6	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)C(=O)O`
ZINC238275390	0.629	217.3 Da LogP 0.52 TPSA 86.6	✓ Ro5	✓ Clean	`CC[C@H](NC(=O)CCCCCO)C(=O)O`
ZINC6783254	0.629	231.2 Da LogP 0.61 TPSA 103.7	✓ Ro5	✓ Clean	`CCCC[C@H](NC(=O)CCC(=O)O)C(=O)O`
ZINC6783285	0.629	231.2 Da LogP 0.61 TPSA 103.7	✓ Ro5	✓ Clean	`CCCC[C@@H](NC(=O)CCC(=O)O)C(=O)O`
ZINC100047394	0.618	299.5 Da LogP 4.28 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)N[C@H](C)C(=O)O`
ZINC2023334	0.618	243.3 Da LogP 2.72 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)N[C@@H](C)C(=O)O`
ZINC28539106	0.618	271.4 Da LogP 3.50 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)N[C@@H](C)C(=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.