Protein profile

PA3797

hypothetical protein

Genome: NC_002516.2

Gene: PA3797 Structure source: AlphaFold UniProt Q9HXK0

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Amino acids 264

Annotations 4

Features 11

PDB binders 5

Druggability 0.673

Overview

Basic information about this protein and its source genome.

Accession: PA3797
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA3797
Status: annotated
Amino acids: 264
Structure source: AlphaFold

3.5.1.3

GO:0106008 Catalysis of the reaction: 2-oxoglutaramate + H2O = 2-oxoglutarate + NH3. GO:0050152 Catalysis of the reaction: a monoamide of a dicarboxylic acid + H2O = a dicarboxylate + NH4+. Substrates include 2-oxosuccinamate and 2-oxoglutaramate, which get converted to oxaloacetate and 2-oxoglutarate, respectively. GO:0006807 OBSOLETE. The chemical reactions and pathways involving organic or inorganic compounds that contain nitrogen.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 32.456
Human E-value: 4.75e-08
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 0.673

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MRDLTVLPDLDIALVQSSLVWHDAQANREHFAALLESAAGADLVVLPEMFTTGFSMASAEQAEPELGPTHAWLLEQARRLGAVVTGSLIVQLADGSHRNRLLWARPDGEMLHYDKRHLFRMAGEHEHYSPGERQELFELKGWRVRPLICYDLRFPVWSRDPHDTDLLLYTANWPAPRRQHWNRLLPARAIENLCYVVAVNRIGEDGNALRYAGDSQVLDFQGDSLFNAADADGVFRVRLDAAALAAYRQRFPAYMDADRFEIHP

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

3.5.1.3

Gene Ontology (GO)

GO:0106008 Catalysis of the reaction: 2-oxoglutaramate + H2O = 2-oxoglutarate + NH3.
GO:0050152 Catalysis of the reaction: a monoamide of a dicarboxylic acid + H2O = a dicarboxylate + NH4+. Substrates include 2-oxosuccinamate and 2-oxoglutaramate, which get converted to oxaloacetate and 2-oxoglutarate, respectively.
GO:0006807 OBSOLETE. The chemical reactions and pathways involving organic or inorganic compounds that contain nitrogen.

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
6	258	SUPERFAMILY	SSF56317	Carbon-nitrogen hydrolase
6	258	InterPro	IPR036526	Carbon-nitrogen hydrolase superfamily
9	264	Gene3D	G3DSA:3.60.110.10	-
9	264	InterPro	IPR036526	Carbon-nitrogen hydrolase superfamily
8	263	PANTHER	PTHR47799	OMEGA-AMIDASE YAFV
10	241	ProSiteProfiles	PS50263	Carbon-nitrogen hydrolase domain profile.
10	241	InterPro	IPR003010	Carbon-nitrogen hydrolase
12	249	Pfam	PF00795	Carbon-nitrogen hydrolase
12	249	InterPro	IPR003010	Carbon-nitrogen hydrolase
10	261	CDD	cd07575	Xc-1258_like
8	264	FunFam	G3DSA:3.60.110.10:FF:000004	Carbon-nitrogen hydrolase

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 PA3797	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				0.673

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.

36 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
CAC	2E11	Q8P8M3	137.0 Da LogP -0.52 TPSA 40.1	✓ Ro5	✓ Clean	`C[As](=O)(C)[O-]`
N2H	5H8I	G7ITU5	134.2 Da LogP -1.42 TPSA 78.5	✓ Ro5	✓ Clean	`C(CCNC(O)O)CN`
N2P	5H8J	G7ITU5	102.2 Da LogP 0.07 TPSA 52.0	✓ Ro5	✓ Clean	`C(CCN)CCN`
P6W	6YPA	O58376	130.1 Da LogP -0.87 TPSA 86.2	✓ Ro5	✓ Clean	`C(CC(=O)N)CC(=O)N`
PUT	5H8L	G7ITU5	88.2 Da LogP -0.32 TPSA 52.0	✓ Ro5	✓ Clean	`C(CCN)CN`

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
DWT	Q9NQR4	8.58	503.5 Da LogP 5.75 TPSA 97.6	2 viol.	✓ Clean	`Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5c…`
CHEMBL4129274	Q86X76	—	851.5 Da LogP 4.76 TPSA 183.3	3 viol.	Alert	`C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(CCOCCOCCOCC…`

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
ZINC1685531	1.000	200.4 Da LogP 2.80 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCN`
ZINC34273707	1.000	256.5 Da LogP 4.37 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCCCN`
ZINC5178646	1.000	228.4 Da LogP 3.59 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCN`
ZINC116475206	0.769	284.4 Da LogP 3.42 TPSA 86.2	✓ Ro5	✓ Clean	`NC(=O)CCCCCCCCCCCCCCC(N)=O`
ZINC1587906	0.769	200.3 Da LogP 1.08 TPSA 86.2	✓ Ro5	✓ Clean	`NC(=O)CCCCCCCCC(N)=O`
ZINC71771467	0.769	256.4 Da LogP 2.64 TPSA 86.2	✓ Ro5	✓ Clean	`NC(=O)CCCCCCCCCCCCC(N)=O`
ZINC1545440	0.615	213.4 Da LogP 4.65 TPSA 26.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCN`
ZINC2385445	0.615	201.4 Da LogP 2.84 TPSA 46.2	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCO`
ZINC34196183	0.615	229.4 Da LogP 3.62 TPSA 46.2	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCO`
ZINC38585283	0.615	203.4 Da LogP 3.39 TPSA 26.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCS`
ZINC13433578	0.588	201.3 Da LogP 1.68 TPSA 80.4	✓ Ro5	✓ Clean	`NC(=O)CCCCCCCCC(=O)O`
ZINC1598087	0.571	215.4 Da LogP 1.61 TPSA 64.1	✓ Ro5	✓ Clean	`NCCCCCCNCCCCCCN`
ZINC1693895	0.556	227.4 Da LogP 4.17 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(N)=O`
ZINC2170606	0.556	213.4 Da LogP 3.78 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(N)=O`
ZINC44630074	0.556	217.4 Da LogP 2.91 TPSA 43.1	✓ Ro5	✓ Clean	`NC(=O)CCCCCCCCCCS`
ZINC86040350	0.556	241.4 Da LogP 4.56 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCC(N)=O`
ZINC8689949	0.556	255.4 Da LogP 4.95 TPSA 43.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(N)=O`
ZINC95910974	0.556	287.5 Da LogP 4.86 TPSA 43.1	✓ Ro5	✓ Clean	`NC(=O)CCCCCCCCCCCCCCCS`
ZINC71842002	0.552	445.6 Da LogP 2.04 TPSA 76.7	✓ Ro5	✓ Clean	`O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCN1CC…`
ZINC220133900	0.538	398.3 Da LogP 3.77 TPSA 85.1	✓ Ro5	✓ Clean	`Cc1nc2nc(-c3cccnc3)nn2cc1C(=O)Nc1cccc(C(F)(F)F)…`
ZINC20148987	0.532	414.4 Da LogP 4.50 TPSA 97.1	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)…`
ZINC914431236	0.531	464.0 Da LogP 4.49 TPSA 85.4	✓ Ro5	Alert	`C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)n…`
ZINC1640977	0.529	230.3 Da LogP -2.09 TPSA 132.5	✓ Ro5	✓ Clean	`NC(=O)CCN(CCC(N)=O)CCC(N)=O`
ZINC9306398	0.512	398.3 Da LogP 3.77 TPSA 85.1	✓ Ro5	✓ Clean	`Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2nc(-c3cccnc3)…`
ZINC5049572	0.507	336.3 Da LogP 4.22 TPSA 58.2	✓ Ro5	✓ Clean	`CC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C`
ZINC13377742	0.500	230.4 Da LogP 0.42 TPSA 76.1	✓ Ro5	✓ Clean	`NCCCCNCCCCNCCCCN`
ZINC1688613	0.500	263.2 Da LogP -1.02 TPSA 146.3	✓ Ro5	✓ Clean	`NC(=O)CCP(=O)(CCC(N)=O)CCC(N)=O`
ZINC38684714	0.500	230.4 Da LogP 0.51 TPSA 81.3	✓ Ro5	✓ Clean	`NCCCCN(CCCCN)CCCCN`
ZINC409444128	0.500	225.3 Da LogP 4.02 TPSA 26.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCC(F)(F)F`

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.