Protein profile

PA3537

ornithine carbamoyltransferase

Genome: NC_002516.2

Gene: PA3537 argF Structure source: AlphaFold UniProt P11724

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Amino acids 305

Annotations 9

Features 37

PDB binders 13

Druggability 0.654

Overview

Basic information about this protein and its source genome.

Accession: PA3537
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA3537 argF
Status: annotated
Amino acids: 305
Structure source: AlphaFold

2.1.3.3

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0016597 Binding to an amino acid, organic acids containing one or more amino substituents. GO:0004585 Catalysis of the reaction: carbamoyl phosphate + L-ornithine = phosphate + L-citrulline. GO:0019240 The chemical reactions and pathways resulting in the formation of citrulline, N5-carbamoyl-L-ornithine, an alpha amino acid not found in proteins. GO:0042450 OBSOLETE. The chemical reactions and pathways resulting in the formation of arginine (2-amino-5-guanidinopentanoic acid) via the intermediate compound ornithine. GO:0006520 The chemical reactions and pathways involving amino acids, carboxylic acids containing one or more amino groups.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 43.774
Human E-value: 2.89e-75
Gut microbiome off-target: hit
Essential (DEG): Y
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 0.654

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 8 GO

Enzyme Commission (EC)

2.1.3.3

Gene Ontology (GO)

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0016597 Binding to an amino acid, organic acids containing one or more amino substituents.
GO:0004585 Catalysis of the reaction: carbamoyl phosphate + L-ornithine = phosphate + L-citrulline.
GO:0019240 The chemical reactions and pathways resulting in the formation of citrulline, N5-carbamoyl-L-ornithine, an alpha amino acid not found in proteins.
GO:0042450 OBSOLETE. The chemical reactions and pathways resulting in the formation of arginine (2-amino-5-guanidinopentanoic acid) via the intermediate compound ornithine.
GO:0006520 The chemical reactions and pathways involving amino acids, carboxylic acids containing one or more amino groups.
GO:0016743 Catalysis of the transfer of a carboxyl- or carbamoyl group from one compound (donor) to another (acceptor).
GO:0006591 The chemical reactions and pathways involving ornithine, an amino acid only rarely found in proteins, but which is important in living organisms as an intermediate in the reactions of the urea cycle and in arginine biosynthesis.

Sequence Features

Domain/signature hits from InterPro and related databases.

37 records

Show feature table

Start	End	DB	Term	Name
49	68	PRINTS	PR00100	Aspartate/ornithine carbamoyltransferase superfamily signature
49	68	InterPro	IPR006130	Aspartate/ornithine carbamoyltransferase
264	287	PRINTS	PR00100	Aspartate/ornithine carbamoyltransferase superfamily signature
264	287	InterPro	IPR006130	Aspartate/ornithine carbamoyltransferase
131	142	PRINTS	PR00100	Aspartate/ornithine carbamoyltransferase superfamily signature
131	142	InterPro	IPR006130	Aspartate/ornithine carbamoyltransferase
252	261	PRINTS	PR00100	Aspartate/ornithine carbamoyltransferase superfamily signature
252	261	InterPro	IPR006130	Aspartate/ornithine carbamoyltransferase
4	133	FunFam	G3DSA:3.40.50.1370:FF:000024	Ornithine carbamoyltransferase
49	56	ProSitePatterns	PS00097	Aspartate and ornithine carbamoyltransferases signature.
49	56	InterPro	IPR006130	Aspartate/ornithine carbamoyltransferase
150	297	Pfam	PF00185	Aspartate/ornithine carbamoyltransferase, Asp/Orn binding domain
150	297	InterPro	IPR006131	Aspartate/ornithine carbamoyltransferase, Asp/Orn-binding domain
4	144	Pfam	PF02729	Aspartate/ornithine carbamoyltransferase, carbamoyl-P binding domain
4	144	InterPro	IPR006132	Aspartate/ornithine carbamoyltransferase, carbamoyl-P binding
134	295	Gene3D	G3DSA:3.40.50.1370	Aspartate/ornithine carbamoyltransferase
134	295	InterPro	IPR036901	Aspartate/ornithine carbamoyltransferase superfamily
80	93	PRINTS	PR00102	Ornithine carbamoyltransferase signature
80	93	InterPro	IPR002292	Ornithine/putrescine carbamoyltransferase
120	134	PRINTS	PR00102	Ornithine carbamoyltransferase signature
120	134	InterPro	IPR002292	Ornithine/putrescine carbamoyltransferase
278	289	PRINTS	PR00102	Ornithine carbamoyltransferase signature
278	289	InterPro	IPR002292	Ornithine/putrescine carbamoyltransferase
216	226	PRINTS	PR00102	Ornithine carbamoyltransferase signature
216	226	InterPro	IPR002292	Ornithine/putrescine carbamoyltransferase
47	61	PRINTS	PR00102	Ornithine carbamoyltransferase signature
47	61	InterPro	IPR002292	Ornithine/putrescine carbamoyltransferase
2	300	SUPERFAMILY	SSF53671	Aspartate/ornithine carbamoyltransferase
2	300	InterPro	IPR036901	Aspartate/ornithine carbamoyltransferase superfamily
4	133	Gene3D	G3DSA:3.40.50.1370	Aspartate/ornithine carbamoyltransferase
4	133	InterPro	IPR036901	Aspartate/ornithine carbamoyltransferase superfamily
3	300	PANTHER	PTHR45753	ORNITHINE CARBAMOYLTRANSFERASE, MITOCHONDRIAL
134	286	FunFam	G3DSA:3.40.50.1370:FF:000008	Ornithine carbamoyltransferase
3	300	Hamap	MF_01109	Ornithine carbamoyltransferase, catabolic [argI].
3	300	InterPro	IPR024904	Ornithine carbamoyltransferase
4	299	NCBIfam	TIGR00658	ornithine carbamoyltransferase
4	299	InterPro	IPR002292	Ornithine/putrescine carbamoyltransferase

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 PA3537	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
7				0.654
4				0.357
2				0.322

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.

63 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
1NP	7NNY	P9WIT9	144.2 Da LogP 2.55 TPSA 20.2	✓ Ro5	✓ Clean	`c1ccc2c(c1)cccc2O`
8H8	7NOR	P9WIT9	137.1 Da LogP 1.40 TPSA 44.0	✓ Ro5	✓ Clean	`c1cc(c(cc1O)F)C#N`
98T	7NNW	P9WIT9	278.0 Da LogP 1.78 TPSA 46.5	✓ Ro5	✓ Clean	`COC(=O)c1ccc(c(c1)I)O`
CIR	4JQO	Q8DCF5	175.2 Da LogP -1.15 TPSA 118.4	✓ Ro5	✓ Clean	`C(C[C@@H](C(=O)O)N)CNC(=O)N`
CP	1C9Y	P00480	141.0 Da LogP -0.83 TPSA 109.9	✓ Ro5	✓ Clean	`C(=O)(N)OP(=O)(O)O`
NMR	7NOU	P9WIT9	—	—	—	`B(=O)(c1cc(cc(c1)Cl)Cl)O`
NVA	4NF2	Q81M99	117.1 Da LogP 0.20 TPSA 63.3	✓ Ro5	✓ Clean	`CCC[C@@H](C(=O)O)N`
PAO	1OTH	P00480	254.2 Da LogP -1.53 TPSA 149.9	✓ Ro5	✓ Clean	`C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O`
PE5	4H31	Q8DCF5	398.5 Da LogP 0.13 TPSA 94.1	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCCOCCOCCO`
PTZ	7NNZ	P9WIT9	190.3 Da LogP 2.70 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1c(nc(s1)N)c2ccccc2`
UJZ	7NOS	P9WIT9	265.0 Da LogP 3.34 TPSA 28.7	✓ Ro5	✓ Clean	`c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F`
UK2	7NOV	P9WIT9	181.0 Da LogP -0.42 TPSA 83.6	✓ Ro5	✓ Clean	`B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O`
UKH	7NP0	P9WIT9	166.9 Da LogP -0.73 TPSA 83.6	✓ Ro5	✓ Clean	`B(c1ccc(cc1)[N+](=O)[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
ZINC2548331	1.000	278.0 Da LogP 1.78 TPSA 46.5	✓ Ro5	✓ Clean	`COC(=O)c1ccc(O)c(I)c1`
ZINC5650743	1.000	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCO`
ZINC6403917	1.000	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCCOCCO`
ZINC20340495	0.926	266.4 Da LogP 4.37 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1sc(N)nc1-c1ccc(-c2ccccc2)cc1`
ZINC84123	0.750	204.3 Da LogP 3.01 TPSA 38.9	✓ Ro5	Alert	`Cc1ccc(-c2nc(N)sc2C)cc1`
ZINC8700304	0.733	278.0 Da LogP 1.78 TPSA 46.5	✓ Ro5	✓ Clean	`COC(=O)c1ccc(I)c(O)c1`
ZINC258828063	0.719	204.1 Da LogP 2.72 TPSA 28.7	✓ Ro5	✓ Clean	`Fc1cc(C(F)(F)F)cc2[nH]cnc12`
ZINC2032126	0.714	244.3 Da LogP 4.85 TPSA 20.2	✓ Ro5	✓ Clean	`Oc1cccc2c1ccc1c3ccccc3ccc21`
ZINC12501520	0.688	458.5 Da LogP -0.88 TPSA 123.5	1 viol.	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC3874716	0.688	414.5 Da LogP -0.90 TPSA 114.3	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC41656314	0.688	204.3 Da LogP 3.01 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1cccc(-c2nc(N)sc2C)c1`
ZINC4283769	0.688	238.3 Da LogP -0.96 TPSA 77.4	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCO`
ZINC4521548	0.688	282.3 Da LogP -0.95 TPSA 86.6	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCO`
ZINC5178829	0.688	326.4 Da LogP -0.93 TPSA 95.8	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCO`
ZINC5178830	0.688	370.4 Da LogP -0.91 TPSA 105.1	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC5859031	0.688	294.4 Da LogP 1.13 TPSA 55.4	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCC`
ZINC1009200	0.677	208.3 Da LogP 2.84 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1sc(N)nc1-c1ccc(F)cc1`
ZINC115331	0.677	269.2 Da LogP 3.46 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1sc(N)nc1-c1ccc(Br)cc1`
ZINC2528189	0.677	320.1 Da LogP 1.86 TPSA 52.6	✓ Ro5	✓ Clean	`COC(=O)c1ccc(C(=O)OC)c(I)c1`
ZINC2559798	0.677	276.1 Da LogP 2.39 TPSA 26.3	✓ Ro5	✓ Clean	`COC(=O)c1ccc(C)c(I)c1`
ZINC28014904	0.677	206.3 Da LogP 2.41 TPSA 59.1	✓ Ro5	✓ Clean	`Cc1sc(N)nc1-c1ccc(O)cc1`
ZINC7580	0.677	224.7 Da LogP 3.35 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1sc(N)nc1-c1ccc(Cl)cc1`
ZINC1570993	0.667	215.3 Da LogP 2.93 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCCC[C@H](N)C(=O)O`
ZINC1570999	0.667	229.4 Da LogP 3.32 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@H](N)C(=O)O`
ZINC1620974	0.667	243.4 Da LogP 3.71 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[C@H](N)C(=O)O`
ZINC1742220	0.667	201.3 Da LogP 2.54 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCC[C@H](N)C(=O)O`
ZINC2035155	0.667	215.3 Da LogP 2.93 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCCC[C@@H](N)C(=O)O`
ZINC2035157	0.667	201.3 Da LogP 2.54 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCC[C@@H](N)C(=O)O`
ZINC2037129	0.667	243.4 Da LogP 3.71 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[C@@H](N)C(=O)O`
ZINC39951743	0.667	292.1 Da LogP 2.17 TPSA 46.5	✓ Ro5	✓ Clean	`CCOC(=O)c1ccc(O)c(I)c1`
ZINC43531622	0.667	271.4 Da LogP 4.49 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC[C@H](N)C(=O)O`
ZINC43531626	0.667	271.4 Da LogP 4.49 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC[C@@H](N)C(=O)O`
ZINC8437446	0.667	229.4 Da LogP 3.32 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCCCC[C@@H](N)C(=O)O`
ZINC128850	0.656	292.1 Da LogP 2.09 TPSA 35.5	✓ Ro5	✓ Clean	`COC(=O)c1ccc(OC)c(I)c1`
ZINC140445837	0.656	294.1 Da LogP 2.37 TPSA 26.3	✓ Ro5	✓ Clean	`COC(=O)c1ccc(S)c(I)c1`
ZINC21304461	0.656	296.5 Da LogP 2.73 TPSA 26.3	✓ Ro5	✓ Clean	`COC(=O)c1ccc(Cl)c(I)c1`
ZINC2506007	0.656	246.4 Da LogP 4.00 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1sc(N)nc1-c1ccc(C(C)(C)C)cc1`
ZINC393290	0.656	277.1 Da LogP 1.66 TPSA 52.3	✓ Ro5	✓ Clean	`COC(=O)c1ccc(N)c(I)c1`
ZINC4069950	0.656	220.3 Da LogP 2.71 TPSA 48.1	✓ Ro5	✓ Clean	`COc1ccc(-c2nc(N)sc2C)cc1`
ZINC44172055	0.656	280.0 Da LogP 2.22 TPSA 26.3	✓ Ro5	✓ Clean	`COC(=O)c1ccc(F)c(I)c1`
ZINC89064429	0.656	340.9 Da LogP 2.84 TPSA 26.3	✓ Ro5	✓ Clean	`COC(=O)c1ccc(Br)c(I)c1`
ZINC38888013	0.655	403.9 Da LogP 2.39 TPSA 46.5	✓ Ro5	✓ Clean	`COC(=O)c1cc(I)c(O)c(I)c1`
ZINC40162867	0.655	254.2 Da LogP 3.88 TPSA 12.9	✓ Ro5	✓ Clean	`Cc1sc(Br)nc1-c1ccccc1`
ZINC150355	0.647	224.7 Da LogP 3.35 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1sc(N)nc1-c1cccc(Cl)c1`
ZINC41656350	0.647	208.3 Da LogP 2.84 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1sc(N)nc1-c1cccc(F)c1`
ZINC84915946	0.647	269.2 Da LogP 3.46 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1sc(N)nc1-c1cccc(Br)c1`
ZINC404023	0.645	210.2 Da LogP 0.97 TPSA 72.8	✓ Ro5	✓ Clean	`COC(=O)c1ccc(O)c(C(=O)OC)c1`
ZINC408210	0.636	218.3 Da LogP 3.26 TPSA 38.9	✓ Ro5	Alert	`CCc1ccc(-c2nc(N)sc2C)cc1`
ZINC65340069	0.636	220.3 Da LogP 4.21 TPSA 20.2	✓ Ro5	✓ Clean	`Oc1ccccc1-c1cccc2ccccc12`
ZINC730704	0.636	232.4 Da LogP 3.82 TPSA 38.9	✓ Ro5	✓ Clean	`Cc1sc(N)nc1-c1ccc(C(C)C)cc1`

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.