Protein profile

PA2215

hypothetical protein

Genome: NC_002516.2

Gene: PA2215 Structure source: AlphaFold UniProt Q9I1Q2

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Amino acids 391

Annotations 5

Features 22

PDB binders 8

Druggability 0.419

Overview

Basic information about this protein and its source genome.

Accession: PA2215
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2215
Status: annotated
Amino acids: 391
Structure source: AlphaFold

4.2.1.90

GO:0016836 Catalysis of the cleavage of a carbon-oxygen bond by elimination of water. GO:0050032 Catalysis of the reaction: L-rhamnonate = 2-dehydro-3-deoxy-L-rhamnonate + H2O. GO:0000287 Binding to a magnesium (Mg) ion. GO:0016052 The chemical reactions and pathways resulting in the breakdown of carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 29.075
Human E-value: 3.69e-21
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 0.419

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

4.2.1.90

Gene Ontology (GO)

GO:0016836 Catalysis of the cleavage of a carbon-oxygen bond by elimination of water.
GO:0050032 Catalysis of the reaction: L-rhamnonate = 2-dehydro-3-deoxy-L-rhamnonate + H2O.
GO:0000287 Binding to a magnesium (Mg) ion.
GO:0016052 The chemical reactions and pathways resulting in the breakdown of carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.

Sequence Features

Domain/signature hits from InterPro and related databases.

22 records

Show feature table

Start	End	DB	Term	Name
1	391	SFLD	SFLDF00554	L-lyxonate dehydratase
1	391	InterPro	IPR034619	L-lyxonate dehydratase
1	143	SUPERFAMILY	SSF54826	Enolase N-terminal domain-like
1	143	InterPro	IPR029017	Enolase-like, N-terminal
39	139	Pfam	PF02746	Mandelate racemase / muconate lactonizing enzyme, N-terminal domain
39	139	InterPro	IPR013341	Mandelate racemase/muconate lactonizing enzyme, N-terminal domain
132	380	Gene3D	G3DSA:3.20.20.120	-
132	380	InterPro	IPR036849	Enolase-like, C-terminal domain superfamily
132	380	FunFam	G3DSA:3.20.20.120:FF:000005	Putative L-rhamnonate dehydratase
159	262	SMART	SM00922	MR_MLE_2
159	262	InterPro	IPR013342	Mandelate racemase/muconate lactonizing enzyme, C-terminal
1	391	SFLD	SFLDS00001	Enolase
127	388	SUPERFAMILY	SSF51604	Enolase C-terminal domain-like
127	388	InterPro	IPR036849	Enolase-like, C-terminal domain superfamily
2	388	PANTHER	PTHR13794	ENOLASE SUPERFAMILY, MANDELATE RACEMASE
2	388	InterPro	IPR046945	L-rhamnonate dehydratase-like
44	380	CDD	cd03327	MR_like_2
44	380	InterPro	IPR023444	L-rhamnonate dehydratase
164	382	Pfam	PF13378	Enolase C-terminal domain-like
164	382	InterPro	IPR029065	Enolase C-terminal domain-like
3	387	Gene3D	G3DSA:3.30.390.10	-
3	387	InterPro	IPR029017	Enolase-like, N-terminal

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 PA2215	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
4				0.419
2				0.35
9				0.308

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.

58 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
0YR	4H19	Q7CU39	181.1 Da LogP -3.43 TPSA 130.2	1 viol.	✓ Clean	`C([C@H]([C@H]([C@H](C(=O)NO)O)O)O)O`
1N5	3CXO	Q8ZNF9	178.2 Da LogP -1.04 TPSA 98.0	✓ Ro5	✓ Clean	`C(C[C@@H](C[C@H](C(=O)O)O)O)CO`
3LR	3CXO	Q8ZNF9	164.2 Da LogP -1.44 TPSA 98.0	✓ Ro5	✓ Clean	`C[C@@H]([C@@H](C[C@H](C(=O)O)O)O)O`
AKG	3OP2	A0A0H3LT39	146.1 Da LogP -0.50 TPSA 91.7	✓ Ro5	✓ Clean	`C(CC(=O)O)C(=O)C(=O)O`
DXL	3OZM	A0A0H3LT39	180.1 Da LogP -2.76 TPSA 135.3	✓ Ro5	✓ Clean	`[C@@H](C([C@@H](C(=O)O)O)O)(C(=O)O)O`
LY9	3OZM	A0A0H3LT39	180.1 Da LogP -2.76 TPSA 135.3	✓ Ro5	✓ Clean	`[C@@H](C([C@H](C(=O)O)O)O)(C(=O)O)O`
MLT	3RR1	B2UCA8	134.1 Da LogP -1.09 TPSA 94.8	✓ Ro5	✓ Clean	`C([C@H](C(=O)O)O)C(=O)O`
TLA	3EKG	C1DMY1	150.1 Da LogP -2.12 TPSA 115.1	✓ Ro5	✓ Clean	`[C@@H]([C@H](C(=O)O)O)(C(=O)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
ZINC5372848	0.870	211.2 Da LogP -4.07 TPSA 150.5	1 viol.	✓ Clean	`O=C(NO)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO`
ZINC5372851	0.870	211.2 Da LogP -4.07 TPSA 150.5	1 viol.	✓ Clean	`O=C(NO)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO`
ZINC5372852	0.870	211.2 Da LogP -4.07 TPSA 150.5	1 viol.	✓ Clean	`O=C(NO)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO`
ZINC5372854	0.870	211.2 Da LogP -4.07 TPSA 150.5	1 viol.	✓ Clean	`O=C(NO)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO`
ZINC1532740	0.846	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC12359024	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC13533920	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC1549593	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC2013424	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC3581021	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC3860635	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O`
ZINC5783661	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC6072527	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC71773889	0.667	206.1 Da LogP -1.77 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(C[C@H](O)C(=O)O)C[C@H](O)C(=O)O`
ZINC71773890	0.667	206.1 Da LogP -1.77 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(C[C@H](O)C(=O)O)C[C@@H](O)C(=O)O`
ZINC71773891	0.667	206.1 Da LogP -1.77 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(C[C@@H](O)C(=O)O)C[C@@H](O)C(=O)O`
ZINC1560405156	0.588	208.1 Da LogP -1.79 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)/C(O)=C(\O)[C@H](O)[C@H](O)C(=O)O`
ZINC1560405157	0.588	208.1 Da LogP -1.79 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)/C(O)=C(/O)[C@H](O)[C@H](O)C(=O)O`
ZINC101013985	0.571	225.2 Da LogP -4.51 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCO)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO`
ZINC216211804	0.571	225.2 Da LogP -4.51 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCO)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO`
ZINC216211852	0.571	225.2 Da LogP -4.51 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCO)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO`
ZINC25625323	0.571	225.2 Da LogP -4.51 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCO)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO`
ZINC17147668	0.533	239.2 Da LogP -4.47 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCCO)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO`
ZINC255970188	0.533	239.2 Da LogP -4.47 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCCO)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO`
ZINC255970189	0.533	239.2 Da LogP -4.47 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCCO)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO`
ZINC4683166	0.533	239.2 Da LogP -4.47 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCCO)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO`
ZINC4683167	0.533	239.2 Da LogP -4.47 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCCO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO`
ZINC4683168	0.533	239.2 Da LogP -4.47 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCCO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO`
ZINC4683169	0.533	239.2 Da LogP -4.47 TPSA 150.5	1 viol.	✓ Clean	`O=C(NCCO)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO`
ZINC1577651	0.526	234.2 Da LogP -0.66 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)C[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O`
ZINC1577652	0.526	234.2 Da LogP -0.66 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)C[C@@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O`
ZINC1577653	0.526	234.2 Da LogP -0.66 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)C[C@H](C(=O)O)[C@H](CC(=O)O)C(=O)O`
ZINC216202722	0.516	237.3 Da LogP -3.05 TPSA 130.2	1 viol.	✓ Clean	`CCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO`
ZINC216202765	0.516	237.3 Da LogP -3.05 TPSA 130.2	1 viol.	✓ Clean	`CCCNC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO`
ZINC25625591	0.516	237.3 Da LogP -3.05 TPSA 130.2	1 viol.	✓ Clean	`CCCNC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO`
ZINC25626129	0.516	253.2 Da LogP -4.38 TPSA 167.6	1 viol.	✓ Clean	`O=C(O)CNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO`
ZINC25626138	0.516	253.2 Da LogP -4.38 TPSA 167.6	1 viol.	✓ Clean	`O=C(O)CNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO`
ZINC25626146	0.516	253.2 Da LogP -4.38 TPSA 167.6	1 viol.	✓ Clean	`O=C(O)CNC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO`
ZINC25626153	0.516	253.2 Da LogP -4.38 TPSA 167.6	1 viol.	✓ Clean	`O=C(O)CNC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)…`
ZINC4533049	0.516	237.3 Da LogP -3.05 TPSA 130.2	1 viol.	✓ Clean	`CCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO`
ZINC100005182	0.500	208.2 Da LogP -3.20 TPSA 124.3	✓ Ro5	✓ Clean	`COC(=O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO`
ZINC14807401	0.500	208.2 Da LogP -3.20 TPSA 124.3	✓ Ro5	✓ Clean	`COC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO`
ZINC18141564	0.500	208.2 Da LogP -3.20 TPSA 124.3	✓ Ro5	✓ Clean	`COC(=O)C(=O)[C@@H](O)[C@@H](O)[C@H](O)CO`
ZINC201779749	0.500	208.2 Da LogP -3.20 TPSA 124.3	✓ Ro5	✓ Clean	`COC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO`
ZINC4726346	0.500	225.2 Da LogP -4.73 TPSA 164.5	1 viol.	✓ Clean	`NC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H…`
ZINC4726347	0.500	225.2 Da LogP -4.73 TPSA 164.5	1 viol.	✓ Clean	`NC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]…`
ZINC4726348	0.500	225.2 Da LogP -4.73 TPSA 164.5	1 viol.	✓ Clean	`NC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]…`
ZINC4726349	0.500	225.2 Da LogP -4.73 TPSA 164.5	1 viol.	✓ Clean	`NC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](…`
ZINC95617095	0.500	208.2 Da LogP -3.20 TPSA 124.3	✓ Ro5	✓ Clean	`COC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO`
ZINC95617096	0.500	208.2 Da LogP -3.20 TPSA 124.3	✓ Ro5	✓ Clean	`COC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO`

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.