Protein profile

PA1797

hypothetical protein

Genome: NC_002516.2

Gene: PA1797 Structure source: AlphaFold UniProt Q9I2U5

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Amino acids 610

Annotations 1

Features 15

PDB binders 5

Druggability 0.699

Overview

Basic information about this protein and its source genome.

Accession: PA1797
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA1797
Status: annotated
Amino acids: 610
Structure source: AlphaFold

GO:0009002 Catalysis of the reaction: (Ac)2-L-Lys-D-alanyl-D-alanine + H2O = (Ac)2-L-Lys-D-alanine + D-alanine.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 29.63
Human E-value: 1.85e-10
Gut microbiome off-target: hit
Essential (DEG): N
Localization: CytoplasmicMembrane

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 0.699

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MFRAMHLSLLGCLLGTSGCHGLPPAPPAPSAAVGNYGEVIDYLQRHIRREMERQDVPGLALALVDDQQLVWARGFGYADRQHRINASEHTAFHAGDLSKLLIASATLQLAERGQLSLDAPLQDTLREFYVRSRFHADQSEADRAITFRRLLSHQSGLPGEHLPPLFGERPNSLGQLPAKVSGVWLSNPPGTQVAHSNLGYELVGAAIERNTGKHFEQHMREHLLDPLQMTRSSFARNALPQAQRAHGYSGGGRPGSASDLPVNDLWSSPVDLSRFVRMLFANGRHKERQLLRKHSVEEMFRQQNAGNALDFDCQVGLAWFLSPCGSAPLEGGIRHYEYASATPGFSAHLILLPEQRLAAIVMSNADDSGSLTASLARQAASLMLQVKQGARRPAVQPTPARAPALEVPSPEDRRQLYGRYATRQGQIRLYERRGRLYADFGEQRVELLRDTSGWLQMRKRLLGFWPVGVDSAGQLQLDVVSYGQRRILVSRRHDQTAYLGERIEPTSLPQAWTEAVGTYRVASTGRHSYLNGLSIRIEDGFLLVRGQAGGTRSGEFILQPIDSAHAVLAGSGQGLGDTFSRDFDGLNALGYRFAQQDTKARPWLQRKESP

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

GO:0009002 Catalysis of the reaction: (Ac)2-L-Lys-D-alanyl-D-alanine + H2O = (Ac)2-L-Lys-D-alanine + D-alanine.

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records

Show feature table

Start	End	DB	Term	Name
38	377	Gene3D	G3DSA:3.40.710.10	-
38	377	InterPro	IPR012338	Beta-lactamase/transpeptidase-like
1	19	ProSiteProfiles	PS51257	Prokaryotic membrane lipoprotein lipid attachment site profile.
1	6	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
43	378	Pfam	PF00144	Beta-lactamase
43	378	InterPro	IPR001466	Beta-lactamase-related
1	21	Phobius	SIGNAL_PEPTIDE	Signal peptide region
1	21	SignalP_EUK	SignalP-noTM	SignalP-noTM
7	16	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
1	21	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
34	381	SUPERFAMILY	SSF56601	beta-lactamase/transpeptidase-like
34	381	InterPro	IPR012338	Beta-lactamase/transpeptidase-like
17	21	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
24	410	PANTHER	PTHR43283	BETA-LACTAMASE-RELATED
22	610	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.

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 PA1797	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				0.699

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.

55 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
144	6KJD	B6H6L7	122.1 Da LogP -1.72 TPSA 60.7	✓ Ro5	✓ Clean	`C[N+](CO)(CO)CO`
DO3	2QMI	Q9V2D6	404.5 Da LogP -2.16 TPSA 145.1	✓ Ro5	✓ Clean	`C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)CC(=O)O…`
LVA	6KJD	B6H6L7	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C…`
MJA	6KJE	B6H6L7	338.4 Da LogP 2.12 TPSA 98.0	✓ Ro5	✓ Clean	`C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)C…`
SIM	6KJF	B6H6L7	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([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
ZINC13824219	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC202907532	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[…`
ZINC22016976	1.000	404.5 Da LogP -2.16 TPSA 145.1	✓ Ro5	✓ Clean	`C[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)…`
ZINC22016981	1.000	404.5 Da LogP -2.16 TPSA 145.1	✓ Ro5	✓ Clean	`C[C@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O…`
ZINC242722823	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[…`
ZINC242722825	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[…`
ZINC248246262	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)…`
ZINC248246264	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)…`
ZINC248246267	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)…`
ZINC248246269	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)…`
ZINC253534050	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)…`
ZINC26188606	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC38309997	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC38309998	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC38309999	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC3833877	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC4134473	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC67665175	1.000	422.6 Da LogP 3.72 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC96030136	1.000	436.6 Da LogP 4.11 TPSA 104.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[…`
ZINC12496501	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[…`
ZINC19045976	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[…`
ZINC253915831	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC26672491	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC27646890	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC27646898	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC36436646	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[…`
ZINC3798763	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[…`
ZINC3831355	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@@H](…`
ZINC3831356	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@@H](C…`
ZINC3831357	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@@H](C…`
ZINC3831358	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@@H](C)…`
ZINC43772728	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC43772730	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[…`
ZINC98186946	0.855	424.5 Da LogP 2.44 TPSA 124.3	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC2069669004	0.841	436.6 Da LogP 3.80 TPSA 93.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC238766648	0.841	436.6 Da LogP 3.80 TPSA 93.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC65748721	0.841	450.6 Da LogP 4.19 TPSA 93.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665418	0.841	450.6 Da LogP 4.19 TPSA 93.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665419	0.841	450.6 Da LogP 4.19 TPSA 93.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665421	0.841	450.6 Da LogP 4.19 TPSA 93.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC2049382629	0.828	478.7 Da LogP 4.83 TPSA 93.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC2049382630	0.828	478.7 Da LogP 4.83 TPSA 93.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)…`
ZINC67665377	0.828	451.6 Da LogP 3.44 TPSA 119.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665378	0.828	451.6 Da LogP 3.44 TPSA 119.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665379	0.828	451.6 Da LogP 3.44 TPSA 119.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC67665380	0.828	451.6 Da LogP 3.44 TPSA 119.1	✓ Ro5	✓ Clean	`CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[…`
ZINC44963407	0.758	438.6 Da LogP 2.83 TPSA 124.3	✓ Ro5	✓ Clean	`CCC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC67665319	0.758	438.6 Da LogP 2.83 TPSA 124.3	✓ Ro5	✓ Clean	`CCC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)…`
ZINC29571156	0.754	408.5 Da LogP 3.47 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC…`
ZINC31157647	0.754	408.5 Da LogP 3.47 TPSA 104.1	✓ Ro5	✓ Clean	`CC[C@@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](C…`

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.