Protein profile

PA0788

hypothetical protein

Genome: NC_002516.2

Gene: PA0788 Structure source: AlphaFold UniProt Q9I5F0

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Amino acids 1041

Annotations 6

Features 19

PDB binders 6

Druggability 0.871

Overview

Basic information about this protein and its source genome.

Accession: PA0788
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0788
Status: annotated
Amino acids: 1041
Structure source: AlphaFold

2.4.99.28

GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall. GO:0004180 Catalysis of the hydrolysis of a single C-terminal amino acid residue from a polypeptide chain. GO:0008955 Catalysis of the reaction: [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)](n)-di-trans,octa-cis-undecaprenyl diphosphate + beta-D-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate = [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)](n+1)-di-trans-octa-cis-undecaprenyl diphosphate + di-trans,octa-cis-undecaprenyl diphosphate + H+. GO:0009252 The chemical reactions and pathways resulting in the formation of peptidoglycans, any of a class of glycoconjugates found in bacterial cell walls and consisting of long glycan strands of alternating residues of beta-(1,4) linked N-acetylglucosamine and N-acetylmuramic acid, cross-linked by short peptides. GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.

Target profile

Computed evidence for target prioritization.

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

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 0.871

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MNCAATGGASMGASERSTNDPSELQPCSLPASASPRKSRLRQRLMLIGFALPILAAVGIVVLHEAHTSRLQARELARYAATLDYEVRQGPSEAILFPADGPFDRRLGYQLLPSFMQRLYDRDYAITRQAHFSPALMRYAEHRLFPPYAEKAQAGLDIADCRGVPIYDFRYPQRRYANFASLPPLVVQSLLFIENRDLLDHERPYLNPAVDWGRFTQAALSQVGKMLGFSAHSSGGSTLATQIEKYRHSAEGRTGSIGDKLRQMLSASVRSYREGPANFAARQDIVLTYLNSVPLSAAPGYGEVTGLADGLWVWYGADYRQVGEALDGKAGLAAQGLALRQVLALMIAHRRPSFYLAPRGRDELDRMTDSHLRVLTQAGVIEAPLRDAALAQKLAFRDPRSQPTVQPLPTNKGVTLARTRLAGMLGVPLYDLDRLDLRANTTLQHELQESVTAYLQKLADPDYAAQLGLIGERLLTPTSTRSVRYSFTLFERTPSGNQVRVQTDNTDQPFDINEGSKLELGSTAKLRVLASYLETVAQIHRDYGGMSVAELRKVEVEPLDFILRWGIDYLVASRDRDLSAMLQAAMERRYSASPYESFFTGGGLHTFNNFRKEDNGRRPMLLEALRESINLPFVRLLRDLIRHDIYQNAGSKVQLLADDKDPRRADYLDRFVDKESQVYLRRFWVKYRDKDANQRLETFLDGLRPWPVRLAAIHRYLQPQADLASFSAFLRERLPRGSLTDKRAAELYERYGPGKFNLNDQGYVARVHPLELWLLGYLQKQPQATFGEAVAASGAERKEVYGWLFKSRHKNARDKRIRILLEVEAFLDLHQQWKKLGYPFDHLVPSYATALGSSGDRPAALAELMGIIVNDGVRMPTLRLEHLDFALGTPYETRFAPEATLGQRVMTSEVATTLRNALSQVVDAGTARRLQGTFSRPDGAPLVMGGKTGTGDNRLQTFSAGGHVRSSKALNRTATFVFYIGPRHFGTLTAYVDGSESSQFKFTSALPVQVLKGMAPLLRDYLDPRTATRCQVPLSPQQIGRL

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 5 GO

Enzyme Commission (EC)

2.4.99.28

Gene Ontology (GO)

GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
GO:0004180 Catalysis of the hydrolysis of a single C-terminal amino acid residue from a polypeptide chain.
GO:0008955 Catalysis of the reaction: [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)](n)-di-trans,octa-cis-undecaprenyl diphosphate + beta-D-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate = [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)](n+1)-di-trans-octa-cis-undecaprenyl diphosphate + di-trans,octa-cis-undecaprenyl diphosphate + H+.
GO:0009252 The chemical reactions and pathways resulting in the formation of peptidoglycans, any of a class of glycoconjugates found in bacterial cell walls and consisting of long glycan strands of alternating residues of beta-(1,4) linked N-acetylglucosamine and N-acetylmuramic acid, cross-linked by short peptides.
GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records

Show feature table

Start	End	DB	Term	Name
6	31	MobiDBLite	mobidb-lite	consensus disorder prediction
1	43	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
163	397	FunFam	G3DSA:1.10.3810.10:FF:000012	Glycosyl transferase family 51
749	1023	SUPERFAMILY	SSF56601	beta-lactamase/transpeptidase-like
749	1023	InterPro	IPR012338	Beta-lactamase/transpeptidase-like
171	389	SUPERFAMILY	SSF53955	Lysozyme-like
171	389	InterPro	IPR023346	Lysozyme-like domain superfamily
11	1021	PANTHER	PTHR32282	BINDING PROTEIN TRANSPEPTIDASE, PUTATIVE-RELATED
162	359	Pfam	PF00912	Transglycosylase
162	359	InterPro	IPR001264	Glycosyl transferase, family 51
163	397	Gene3D	G3DSA:1.10.3810.10	-
163	397	InterPro	IPR036950	Penicillin binding protein transglycosylase domain
816	1023	Gene3D	G3DSA:3.40.710.10	-
816	1023	InterPro	IPR012338	Beta-lactamase/transpeptidase-like
44	63	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
815	1025	FunFam	G3DSA:3.40.710.10:FF:000047	Glycosyl transferase family 51
64	1041	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
11	31	MobiDBLite	mobidb-lite	consensus disorder prediction
44	63	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.

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 PA0788	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
26				0.786
31				0.221
16				0.213
12				0.21

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.

44 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
5VW	5FGZ	P02919	352.4 Da LogP -2.29 TPSA 146.3	✓ Ro5	✓ Clean	`C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H…`
63U	5HLA	P02919	349.4 Da LogP 0.39 TPSA 121.5	✓ Ro5	✓ Clean	`CC1=C(N[C@@H](SC1)[C@@H](C=O)NC(=O)[C@@H](c2ccc…`
63V	5HLD	P02919	338.4 Da LogP 1.13 TPSA 95.8	✓ Ro5	✓ Clean	`C=C1CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2`
AIX	5HL9	P02919	351.4 Da LogP 0.26 TPSA 121.5	✓ Ro5	✓ Clean	`CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2…`
AZR	5HLB	P02919	437.5 Da LogP -1.23 TPSA 210.4	✓ Ro5	✓ Clean	`C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/…`
M0E	3FWL	P02919	1580.6 Da LogP -2.25 TPSA 607.7	3 viol.	✓ Clean	`C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C…`

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
ZINC255982699	0.725	367.4 Da LogP 0.15 TPSA 141.8	✓ Ro5	✓ Clean	`CC1(C)S[C@H]([C@H](NC(=O)[C@@H](N)c2ccccc2)C(=O…`
ZINC255982700	0.725	367.4 Da LogP 0.15 TPSA 141.8	✓ Ro5	✓ Clean	`CC1(C)S[C@H]([C@H](NC(=O)[C@@H](N)c2ccccc2)C(=O…`
ZINC34064296	0.725	367.4 Da LogP 0.15 TPSA 141.8	✓ Ro5	✓ Clean	`CC1(C)S[C@@H]([C@H](NC(=O)[C@H](N)c2ccccc2)C(=O…`
ZINC34064298	0.725	367.4 Da LogP 0.15 TPSA 141.8	✓ Ro5	✓ Clean	`CC1(C)S[C@H]([C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)…`
ZINC34064299	0.725	367.4 Da LogP 0.15 TPSA 141.8	✓ Ro5	✓ Clean	`CC1(C)S[C@H]([C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)…`
ZINC34648375	0.725	367.4 Da LogP 0.15 TPSA 141.8	✓ Ro5	✓ Clean	`CC1(C)S[C@@H]([C@@H](NC(=O)[C@H](N)c2ccccc2)C(=…`
ZINC34648377	0.725	367.4 Da LogP 0.15 TPSA 141.8	✓ Ro5	✓ Clean	`CC1(C)S[C@H]([C@@H](NC(=O)[C@H](N)c2ccccc2)C(=O…`
ZINC5963857	0.607	383.4 Da LogP -0.14 TPSA 162.0	1 viol.	✓ Clean	`CC1(C)S[C@H]([C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C(…`
ZINC77271558	0.607	383.4 Da LogP -0.14 TPSA 162.0	1 viol.	✓ Clean	`CC1(C)S[C@H]([C@@H](NC(=O)[C@H](N)c2ccc(O)cc2)C…`
ZINC95698950	0.607	383.4 Da LogP -0.14 TPSA 162.0	1 viol.	✓ Clean	`CC1(C)S[C@@H]([C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C…`
ZINC95698951	0.607	383.4 Da LogP -0.14 TPSA 162.0	1 viol.	✓ Clean	`CC1(C)S[C@@H]([C@@H](NC(=O)[C@H](N)c2ccc(O)cc2)…`
ZINC95698957	0.600	323.4 Da LogP 0.70 TPSA 104.5	✓ Ro5	✓ Clean	`CC1(C)S[C@@H](CNC(=O)[C@H](N)c2ccccc2)N[C@H]1C(…`
ZINC95698958	0.600	323.4 Da LogP 0.70 TPSA 104.5	✓ Ro5	✓ Clean	`CC1(C)S[C@H](CNC(=O)[C@H](N)c2ccccc2)N[C@H]1C(=…`
ZINC1560410105	0.580	433.4 Da LogP -0.70 TPSA 201.6	✓ Ro5	✓ Clean	`CC1=C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)…`
ZINC21297226	0.559	273.3 Da LogP 0.39 TPSA 135.1	✓ Ro5	✓ Clean	`CC(C)(O/N=C(\C(=O)O)c1csc(N)n1)C(=O)O`
ZINC21992425	0.559	273.3 Da LogP 0.39 TPSA 135.1	✓ Ro5	✓ Clean	`CC(C)(O/N=C(/C(=O)O)c1csc(N)n1)C(=O)O`
ZINC256007020	0.559	273.3 Da LogP 0.39 TPSA 135.1	✓ Ro5	✓ Clean	`CC(C)(ON=C(C(=O)O)c1csc(N)n1)C(=O)O`
ZINC15021194	0.550	271.3 Da LogP 0.90 TPSA 114.9	✓ Ro5	Alert	`CC(=O)/C(=N\OC(C)(C)C(=O)O)c1csc(N)n1`
ZINC15848211	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(…`
ZINC16958002	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@H]1[C@@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c2csc(…`
ZINC17214369	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@@H]1[C@@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c2csc…`
ZINC252430978	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n…`
ZINC256010240	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@H]1[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)…`
ZINC256010241	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@@H]1[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N…`
ZINC256010242	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)…`
ZINC3830263	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@@H]1[C@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c2csc(…`
ZINC3830264	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N…`
ZINC3830266	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@H]1[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(…`
ZINC4676362	0.542	435.4 Da LogP -1.17 TPSA 201.6	✓ Ro5	✓ Clean	`C[C@@H]1[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc…`
ZINC148820510	0.513	453.4 Da LogP -1.22 TPSA 201.6	✓ Ro5	✓ Clean	`CC(C)(O/N=C(/C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@…`
ZINC13520637	0.500	352.4 Da LogP 0.69 TPSA 115.7	✓ Ro5	✓ Clean	`CC1(C)S[C@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@…`
ZINC16951989	0.500	352.4 Da LogP 0.69 TPSA 115.7	✓ Ro5	✓ Clean	`CC1(C)S[C@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@…`
ZINC4576926	0.500	352.4 Da LogP 0.69 TPSA 115.7	✓ Ro5	✓ Clean	`CC1(C)S[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@…`
ZINC4576929	0.500	352.4 Da LogP 0.69 TPSA 115.7	✓ Ro5	✓ Clean	`CC1(C)S[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@…`
ZINC4576930	0.500	352.4 Da LogP 0.69 TPSA 115.7	✓ Ro5	✓ Clean	`CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@H…`
ZINC4576931	0.500	352.4 Da LogP 0.69 TPSA 115.7	✓ Ro5	✓ Clean	`CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@@…`
ZINC65734236	0.500	339.4 Da LogP 0.40 TPSA 124.7	✓ Ro5	✓ Clean	`CC1(C)S[C@@H](CNC(=O)[C@H](N)c2ccc(O)cc2)N[C@H]…`
ZINC65734238	0.500	339.4 Da LogP 0.40 TPSA 124.7	✓ Ro5	✓ Clean	`CC1(C)S[C@H](CNC(=O)[C@H](N)c2ccc(O)cc2)N[C@H]1…`

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.