Protein profile

PA4794

hypothetical protein

Genome: NC_002516.2

Gene: PA4794 Structure source: Experimental + AlphaFold UniProt Q9HV14

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Amino acids 160

Annotations 3

Features 9

PDB binders 14

Druggability 0.843

Overview

Basic information about this protein and its source genome.

Accession: PA4794
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA4794
Status: annotated
Amino acids: 160
Structure source: Experimental + AlphaFold

GO:0046872 Binding to a metal ion. GO:0008080 Catalysis of the transfer of an acetyl group to a nitrogen atom on the acceptor molecule. GO:0016747 Catalysis of the transfer of an acyl group, other than amino-acyl, from one compound (donor) to another (acceptor).

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Unknown

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 0.843

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:0046872 Binding to a metal ion.
GO:0008080 Catalysis of the transfer of an acetyl group to a nitrogen atom on the acceptor molecule.
GO:0016747 Catalysis of the transfer of an acyl group, other than amino-acyl, from one compound (donor) to another (acceptor).

Sequence Features

Domain/signature hits from InterPro and related databases.

9 records

Show feature table

Start	End	DB	Term	Name
1	158	SUPERFAMILY	SSF55729	Acyl-CoA N-acyltransferases (Nat)
1	158	InterPro	IPR016181	Acyl-CoA N-acyltransferase
1	160	Gene3D	G3DSA:3.40.630.30	-
54	107	CDD	cd04301	NAT_SF
1	149	PANTHER	PTHR43877	-
36	133	Pfam	PF00583	Acetyltransferase (GNAT) family
36	133	InterPro	IPR000182	GNAT domain
13	159	ProSiteProfiles	PS51186	Gcn5-related N-acetyltransferase (GNAT) domain profile.
13	159	InterPro	IPR000182	GNAT domain

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

21 + 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 4L8A	X-ray	1.20 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Viewing
PDB 5VD6	X-ray	1.20 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KOR	X-ray	1.25 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4OAE	X-ray	1.25 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KLV	X-ray	1.30 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KLW	X-ray	1.30 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4M3S	X-ray	1.30 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KOY	X-ray	1.40 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 3KKW	X-ray	1.41 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 3PGP	X-ray	1.42 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KOW	X-ray	1.45 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4OAD	X-ray	1.45 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KUA	X-ray	1.50 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KOS	X-ray	1.55 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KOT	X-ray	1.55 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KUB	X-ray	1.57 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KOU	X-ray	1.60 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KOV	X-ray	1.60 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4L89	X-ray	1.60 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 4KOX	X-ray	1.80 Å	A	100.0% 1-160	PDBe RCSB PDBj File	Loaded
PDB 5VDB	X-ray	1.40 Å	A	99.4% 1-159	PDBe RCSB PDBj File	Loaded
AlphaFold PA4794	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
1				0.843

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	Score	Probability
1	34.66	0.951
2	3.24	0.112
3	0.93	0.004

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				0.807

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.

64 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.

Ligand	Source crystal	MW · LogP · TPSA	Lipinski	PAINS	SMILES
1VP	4L8A 1.20 Å Open crystal	363.4 Da LogP 0.22 TPSA 124.6	✓ Ro5	✓ Clean	`CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1`
4KO	4KOS 1.55 Å Open crystal	471.5 Da LogP -0.73 TPSA 163.3	1 viol.	✓ Clean	`Cn1c(nnn1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC…`
4KR	4KOR 1.25 Å Open crystal	272.3 Da LogP -0.87 TPSA 109.9	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O`
93M	5VDB 1.40 Å Open crystal	1128.9 Da LogP -1.65 TPSA 471.2	3 viol.	✓ Clean	`CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([…`
93P	5VD6 1.20 Å Open crystal	1071.9 Da LogP -0.76 TPSA 442.1	3 viol.	✓ Clean	`CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([…`
C04	4KOU 1.60 Å Open crystal	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O…`
CE3	4KOT 1.55 Å Open crystal	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O…`
CFX	4KOW 1.45 Å Open crystal	427.5 Da LogP 0.10 TPSA 148.3	✓ Ro5	✓ Clean	`CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O…`
CLM	4OAD 1.45 Å Open crystal	323.1 Da LogP 0.91 TPSA 112.7	✓ Ro5	✓ Clean	`c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=…`
CLS	4KOX 1.80 Å Open crystal	396.4 Da LogP 0.59 TPSA 113.0	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs…`
CSC	4KOY 1.40 Å Open crystal	416.4 Da LogP -1.85 TPSA 177.9	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H…`
KLV	4KLV 1.30 Å Open crystal	256.1 Da LogP 1.57 TPSA 97.0	✓ Ro5	✓ Clean	`CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O`
KLW	4KLW 1.30 Å Open crystal	165.1 Da LogP 0.48 TPSA 80.4	✓ Ro5	✓ Clean	`c1ccc(c(c1)C(=O)N)C(=O)O`
KOV	4KOV 1.60 Å Open crystal	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C…`

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.

No PDB ligands found through similar proteins.

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
ZINC12503147	1.000	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/OCC(=O…`
ZINC13704177	1.000	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O…`
ZINC14768564	1.000	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)/C(=N\OCC(=O)…`
ZINC1895413	1.000	256.1 Da LogP 1.57 TPSA 97.0	✓ Ro5	✓ Clean	`Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12`
ZINC242495760	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)…`
ZINC252606119	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)C…`
ZINC252606121	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)C…`
ZINC252606123	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)…`
ZINC254005599	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)…`
ZINC255992358	1.000	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)C(=NOCC(=O)O)…`
ZINC255992360	1.000	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=NOCC(=O)O…`
ZINC255992361	1.000	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=NOCC(=O)O…`
ZINC271775151	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)C…`
ZINC271775157	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)C…`
ZINC271775161	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)…`
ZINC3830410	1.000	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/OCC(=O…`
ZINC3830411	1.000	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)/C(=N/OCC(=O)…`
ZINC3830417	1.000	471.5 Da LogP -0.73 TPSA 163.3	1 viol.	✓ Clean	`CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nn…`
ZINC3830418	1.000	471.5 Da LogP -0.73 TPSA 163.3	1 viol.	✓ Clean	`CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nn…`
ZINC3830419	1.000	471.5 Da LogP -0.73 TPSA 163.3	1 viol.	✓ Clean	`CO[C@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnn…`
ZINC3830420	1.000	471.5 Da LogP -0.73 TPSA 163.3	1 viol.	✓ Clean	`CO[C@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnn…`
ZINC3830437	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=…`
ZINC3830438	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=…`
ZINC3830439	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O…`
ZINC3830440	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O…`
ZINC3830449	1.000	427.5 Da LogP 0.10 TPSA 148.3	✓ Ro5	✓ Clean	`CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(…`
ZINC3830450	1.000	427.5 Da LogP 0.10 TPSA 148.3	✓ Ro5	✓ Clean	`CO[C@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N…`
ZINC3830451	1.000	427.5 Da LogP 0.10 TPSA 148.3	✓ Ro5	✓ Clean	`CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(…`
ZINC3830452	1.000	427.5 Da LogP 0.10 TPSA 148.3	✓ Ro5	✓ Clean	`CO[C@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N…`
ZINC3830484	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O…`
ZINC3830485	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=…`
ZINC3830486	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O…`
ZINC3830487	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=…`
ZINC3830507	1.000	396.4 Da LogP 0.59 TPSA 113.0	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs…`
ZINC3830508	1.000	396.4 Da LogP 0.59 TPSA 113.0	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs…`
ZINC3830509	1.000	396.4 Da LogP 0.59 TPSA 113.0	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3cccs3…`
ZINC3830510	1.000	396.4 Da LogP 0.59 TPSA 113.0	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3cccs3…`
ZINC3861379	1.000	272.3 Da LogP -0.87 TPSA 109.9	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1`
ZINC3871977	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O…`
ZINC3871978	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=…`
ZINC4294769	1.000	272.3 Da LogP -0.87 TPSA 109.9	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@@H]2SC1`
ZINC4294770	1.000	272.3 Da LogP -0.87 TPSA 109.9	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](N)[C@H]2SC1`
ZINC4294771	1.000	272.3 Da LogP -0.87 TPSA 109.9	✓ Ro5	✓ Clean	`CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](N)[C@@H]2SC1`
ZINC4468778	1.000	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O…`
ZINC4468780	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=…`
ZINC4517167	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O…`
ZINC4574563	1.000	424.4 Da LogP -0.54 TPSA 173.8	✓ Ro5	✓ Clean	`CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=…`
ZINC5223872	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=…`
ZINC5223879	1.000	455.5 Da LogP -0.62 TPSA 173.5	1 viol.	✓ Clean	`CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O…`
ZINC8402806	1.000	453.5 Da LogP -0.54 TPSA 184.5	✓ Ro5	✓ Clean	`C=CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)/C(=N/OCC(=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.