Protein profile

PA2934

CFTR inhibitory factor

Genome: NC_002516.2

Gene: PA2934 cif Structure source: AlphaFold UniProt Q9HZR3

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Amino acids 319

Annotations 3

Features 14

PDB binders 29

Druggability 0.575

Overview

Basic information about this protein and its source genome.

Accession: PA2934
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2934 cif
Status: annotated
Amino acids: 319
Structure source: AlphaFold

GO:0004301 Catalysis of the reaction: an epoxide + H2O = an ethanediol. GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc. GO:2001226 Any process that stops, prevents or reduces the frequency, rate or extent of chloride transport.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 45.455
Human E-value: 2.85e-08
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Extracellular

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 0.575

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

GO:0004301 Catalysis of the reaction: an epoxide + H2O = an ethanediol.
GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.
GO:2001226 Any process that stops, prevents or reduces the frequency, rate or extent of chloride transport.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records

Show feature table

Start	End	DB	Term	Name
25	319	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	25	SignalP_EUK	SignalP-noTM	SignalP-noTM
1	24	SignalP_GRAM_NEGATIVE	SignalP-TM	SignalP-TM
59	302	Pfam	PF12697	Alpha/beta hydrolase family
59	302	InterPro	IPR000073	Alpha/beta hydrolase fold-1
9	20	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
33	316	Gene3D	G3DSA:3.40.50.1820	alpha/beta hydrolase
33	316	InterPro	IPR029058	Alpha/Beta hydrolase fold
31	317	SUPERFAMILY	SSF53474	alpha/beta-Hydrolases
31	317	InterPro	IPR029058	Alpha/Beta hydrolase fold
1	24	Phobius	SIGNAL_PEPTIDE	Signal peptide region
39	317	PANTHER	PTHR43329	EPOXIDE HYDROLASE
1	8	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
21	24	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.

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 PA2934	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				0.575
5				0.571

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.

82 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
0PZ	4EHB	A0A0H2ZD27	100.2 Da LogP 1.58 TPSA 12.5	✓ Ro5	✓ Clean	`CCCC[C@@H]1CO1`
0RE	4EUS	A0A0H2ZD27	118.2 Da LogP 0.53 TPSA 40.5	✓ Ro5	✓ Clean	`CCCC[C@@H](CO)O`
40O	5TND	A0A0H2ZD27	116.2 Da LogP 0.28 TPSA 40.5	✓ Ro5	✓ Clean	`C1CC[C@H]([C@@H](C1)O)O`
4HY	4YX9	A0A0M3KL26	621.9 Da LogP 4.63 TPSA 66.8	1 viol.	✓ Clean	`c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O`
64L	5HKB	A0A0H2ZD27	487.1 Da LogP 5.25 TPSA 95.9	1 viol.	✓ Clean	`CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br`
64N	5HKA	A0A0H2ZD27	445.3 Da LogP 5.61 TPSA 101.7	1 viol.	✓ Clean	`CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(…`
64O	5HK9	A0A0H2ZD27	460.3 Da LogP 6.00 TPSA 113.7	1 viol.	✓ Clean	`CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC…`
7EX	5TNS	A0A0H2ZD27	98.1 Da LogP 1.33 TPSA 12.5	✓ Ro5	✓ Clean	`C1CC[C@H]2[C@@H](C1)O2`
7EZ	5TNR	A0A0H2ZD27	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\CC([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O…`
7F2	5TNK	A0A0H2ZD27	146.2 Da LogP 1.31 TPSA 40.5	✓ Ro5	✓ Clean	`CCCCCC[C@H](CO)O`
7F6	5TNE	A0A0H2ZD27	214.3 Da LogP 2.45 TPSA 40.5	✓ Ro5	✓ Clean	`c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O`
7FB	4DNO	A0A0H2ZD27	118.2 Da LogP 0.53 TPSA 40.5	✓ Ro5	✓ Clean	`CCCC[C@H](CO)O`
7HW	5TNF	A0A0H2ZD27	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CC=CC/C=C\CCC(…`
7LE	5TNG	A0A0H2ZD27	336.5 Da LogP 4.16 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)…`
7MS	5TNH	A0A0H2ZD27	336.5 Da LogP 4.16 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@H]([C@@H](C/C=C\C/C=C\CC=CC/C=C\CCCC(=O)O)…`
8MD	5TNJ	A0A0H2ZD27	142.2 Da LogP 0.69 TPSA 40.5	✓ Ro5	✓ Clean	`C=C[C@H]1CCC([C@H](C1)O)O`
AVH	5TNJ	A0A0H2ZD27	142.2 Da LogP 0.69 TPSA 40.5	✓ Ro5	✓ Clean	`C=C[C@@H]1CCC([C@@H](C1)O)O`
BO3	7CLZ	A0A0K2AJY3	61.8 Da LogP -2.05 TPSA 60.7	✓ Ro5	✓ Clean	`B(O)(O)O`
BVH	5TNJ	A0A0H2ZD27	142.2 Da LogP 0.69 TPSA 40.5	✓ Ro5	✓ Clean	`C=C[C@H]1CC[C@H]([C@@H](C1)O)O`
BXA	3R3X	Q6NAM1	138.9 Da LogP 0.47 TPSA 37.3	✓ Ro5	✓ Clean	`C(C(=O)O)Br`
DVH	5TNJ	A0A0H2ZD27	142.2 Da LogP 0.69 TPSA 40.5	✓ Ro5	✓ Clean	`C=C[C@@H]1CC[C@@H]([C@H](C1)O)O`
DY9	6KXH	A0A0K2AJY3	324.3 Da LogP 1.70 TPSA 107.4	✓ Ro5	✓ Clean	`C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c…`
EBH	4DNF	A0A0H2ZD27	139.0 Da LogP 0.76 TPSA 20.2	✓ Ro5	✓ Clean	`C[C@@H](CBr)O`
EET	5JYC	A0A0H2ZD27	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O`
FAH	3R3V	Q6NAM1	78.0 Da LogP 0.04 TPSA 37.3	✓ Ro5	✓ Clean	`C(C(=O)O)F`
FEH	5TNI	A0A0H2ZD27	138.2 Da LogP 0.71 TPSA 40.5	✓ Ro5	✓ Clean	`c1ccc(cc1)[C@H](CO)O`
GOA	3R3Z	Q6NAM1	76.1 Da LogP -0.94 TPSA 57.5	✓ Ro5	✓ Clean	`C(C(=O)O)O`
MLT	6KXH	A0A0K2AJY3	134.1 Da LogP -1.09 TPSA 94.8	✓ Ro5	✓ Clean	`C([C@H](C(=O)O)O)C(=O)O`
R3W	3R3W	Q6NAM1	94.5 Da LogP 0.31 TPSA 37.3	✓ Ro5	✓ Clean	`C(C(=O)O)Cl`

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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL4277989	Q6IE26	—	466.5 Da LogP 4.40 TPSA 80.5	✓ Ro5	✓ Clean	`O=C(N1C[C@@H](O)C=C[C@@H]1COCc1ccccc1)n1cc(-c2c…`
CHEMBL4281906	Q6IE26	—	419.4 Da LogP 3.67 TPSA 103.4	✓ Ro5	✓ Clean	`O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccc([N+](…`
CHEMBL4288486	Q6IE26	—	374.4 Da LogP 3.76 TPSA 60.2	✓ Ro5	✓ Clean	`O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccccc2)nn1`

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
ZINC12359951	1.000	214.3 Da LogP 2.45 TPSA 40.5	✓ Ro5	✓ Clean	`O[C@@H](c1ccccc1)[C@H](O)c1ccccc1`
ZINC12495719	1.000	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O`
ZINC27645250	1.000	336.5 Da LogP 4.16 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC…`
ZINC27645258	1.000	336.5 Da LogP 4.16 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC…`
ZINC27645264	1.000	336.5 Da LogP 4.16 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC…`
ZINC27645272	1.000	336.5 Da LogP 4.16 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(…`
ZINC34961948	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@H](O)C/C=C…`
ZINC34961950	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=…`
ZINC34961952	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=…`
ZINC34961954	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@@H](O)C/C…`
ZINC34961957	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C/C=C\C[C@H](O)[C@H](O)C/C=C\C/C=C…`
ZINC34961959	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=…`
ZINC34961960	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=…`
ZINC34961962	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C…`
ZINC34961964	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C[C@H](O)[C@H](O)C/C=C\C/C=C\C/C=C…`
ZINC34961966	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=…`
ZINC34961968	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=…`
ZINC34961970	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C…`
ZINC34961972	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C[C@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C…`
ZINC34961974	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=…`
ZINC34961976	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=…`
ZINC34961978	1.000	362.5 Da LogP 4.71 TPSA 77.8	✓ Ro5	✓ Clean	`CC/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C…`
ZINC388744	1.000	214.3 Da LogP 2.45 TPSA 40.5	✓ Ro5	✓ Clean	`O[C@H](c1ccccc1)[C@H](O)c1ccccc1`
ZINC388745	1.000	214.3 Da LogP 2.45 TPSA 40.5	✓ Ro5	✓ Clean	`O[C@@H](c1ccccc1)[C@@H](O)c1ccccc1`
ZINC4655425	1.000	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O…`
ZINC4655426	1.000	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O…`
ZINC4655427	1.000	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\CCCC(=…`
ZINC5225578	0.917	224.4 Da LogP 4.84 TPSA 12.5	✓ Ro5	✓ Clean	`C1CCCCCC[C@@H]2O[C@H]2CCCCCC1`
ZINC5225582	0.917	224.4 Da LogP 4.84 TPSA 12.5	✓ Ro5	✓ Clean	`C1CCCCCC[C@H]2O[C@@H]2CCCCCC1`
ZINC5225585	0.917	224.4 Da LogP 4.84 TPSA 12.5	✓ Ro5	✓ Clean	`C1CCCCCC[C@@H]2O[C@@H]2CCCCCC1`
ZINC4773220	0.909	200.3 Da LogP 2.62 TPSA 40.5	✓ Ro5	✓ Clean	`O[C@H]1CCCCCCCCCC[C@H]1O`
ZINC4773230	0.909	200.3 Da LogP 2.62 TPSA 40.5	✓ Ro5	✓ Clean	`O[C@@H]1CCCCCCCCCC[C@H]1O`
ZINC4773244	0.909	200.3 Da LogP 2.62 TPSA 40.5	✓ Ro5	✓ Clean	`O[C@H]1CCCCCCCCCC[C@@H]1O`
ZINC12495891	0.892	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)CCCC(=O…`
ZINC12495894	0.892	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C/C=C\C/C=C\C[C@H](O)[C@H](O)CCCC(=O)O`
ZINC4655414	0.892	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H](O)CCCC(=O…`
ZINC4655415	0.892	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@@H](O)CCCC(=…`
ZINC196864765	0.882	312.4 Da LogP 3.83 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@@H](O)[C@H](O)C/C=C/C/C=C/CCCCCCCC(=O)O`
ZINC196865227	0.882	312.4 Da LogP 3.83 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@H](O)[C@@H](O)C/C=C/C/C=C/CCCCCCCC(=O)O`
ZINC32821797	0.882	312.4 Da LogP 3.83 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@@H](O)[C@@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O`
ZINC32821802	0.882	312.4 Da LogP 3.83 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@@H](O)[C@@H](O)C/C=C/C/C=C/CCCCCCCC(=O)O`
ZINC34397691	0.882	312.4 Da LogP 3.83 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@H](O)[C@@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O`
ZINC34961806	0.882	312.4 Da LogP 3.83 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@H](O)[C@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O`
ZINC34961808	0.882	312.4 Da LogP 3.83 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@@H](O)[C@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O`
ZINC85616853	0.882	312.4 Da LogP 3.83 TPSA 77.8	✓ Ro5	✓ Clean	`CC[C@H](O)[C@H](O)C/C=C/C/C=C/CCCCCCCC(=O)O`
ZINC4655417	0.861	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\CCCC(=O…`
ZINC4655418	0.861	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=C\CCCC(=O…`
ZINC4655419	0.861	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C/C=C\C[C@@H](O)[C@@H](O)C/C=C\CCCC(=…`
ZINC4655422	0.861	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=C\CCCC(=O…`
ZINC4655423	0.861	338.5 Da LogP 4.38 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCC/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C=C\CCCC(=…`

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.