Protein profile

PA0651

indole-3-glycerol phosphate synthase

Genome: NC_002516.2

Gene: trpC PA0651 Structure source: Experimental + AlphaFold UniProt P20577

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Amino acids 278

Annotations 4

Features 15

PDB binders 8

Druggability 0.528

Overview

Basic information about this protein and its source genome.

Accession: PA0651
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: trpC PA0651
Status: annotated
Amino acids: 278
Structure source: Experimental + AlphaFold

4.1.1.48

GO:0004425 Catalysis of the reaction: 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate = 1-(indol-3-yl)glycerol 3-phosphate + CO2 + H2O. GO:0000162 The chemical reactions and pathways resulting in the formation of L-tryptophan, the chiral amino acid 2-amino-3-(1H-indol-3-yl)propanoic acid; L-tryptophan is synthesized from chorismate via anthranilate. GO:0006568 The chemical reactions and pathways involving tryptophan, the chiral amino acid 2-amino-3-(1H-indol-3-yl)propanoic acid.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
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 0.528

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

4.1.1.48

Gene Ontology (GO)

GO:0004425 Catalysis of the reaction: 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate = 1-(indol-3-yl)glycerol 3-phosphate + CO2 + H2O.
GO:0000162 The chemical reactions and pathways resulting in the formation of L-tryptophan, the chiral amino acid 2-amino-3-(1H-indol-3-yl)propanoic acid; L-tryptophan is synthesized from chorismate via anthranilate.
GO:0006568 The chemical reactions and pathways involving tryptophan, the chiral amino acid 2-amino-3-(1H-indol-3-yl)propanoic acid.

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records

Show feature table

Start	End	DB	Term	Name
5	265	Hamap	MF_00134_B	Indole-3-glycerol phosphate synthase [trpC].
5	265	InterPro	IPR013798	Indole-3-glycerol phosphate synthase domain
43	263	CDD	cd00331	IGPS
43	263	InterPro	IPR013798	Indole-3-glycerol phosphate synthase domain
1	271	Gene3D	G3DSA:3.20.20.70	Aldolase class I
1	271	InterPro	IPR013785	Aldolase-type TIM barrel
5	265	PANTHER	PTHR22854	TRYPTOPHAN BIOSYNTHESIS PROTEIN
5	265	InterPro	IPR045186	Indole-3-glycerol phosphate synthase
1	267	FunFam	G3DSA:3.20.20.70:FF:000024	Indole-3-glycerol phosphate synthase
58	76	ProSitePatterns	PS00614	Indole-3-glycerol phosphate synthase signature.
58	76	InterPro	IPR001468	Indole-3-glycerol phosphate synthase, conserved site
7	263	Pfam	PF00218	Indole-3-glycerol phosphate synthase
7	263	InterPro	IPR013798	Indole-3-glycerol phosphate synthase domain
14	265	SUPERFAMILY	SSF51366	Ribulose-phoshate binding barrel
14	265	InterPro	IPR011060	Ribulose-phosphate binding barrel

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

1 + 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 6Y88	X-ray	2.10 Å	A,B,C,D,E,F,H	100.0% 1-278	PDBe RCSB PDBj File	Viewing
AlphaFold PA0651	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
2				0.528
1				0.345

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	36.48	0.956
2	2.59	0.074
3	0.98	0.005

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				0.72

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.

58 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
137	6Y88 2.10 Å Open crystal	351.2 Da LogP -1.01 TPSA 176.8	1 viol.	✓ Clean	`c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)…`

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
3RG	3T40	P9WFX7	195.2 Da LogP 0.88 TPSA 86.6	✓ Ro5	✓ Clean	`c1ccc(c(c1)C(=O)O)NCC(=O)O`
4RG	3T55	P9WFX7	228.2 Da LogP 2.96 TPSA 46.5	✓ Ro5	✓ Clean	`c1ccc(cc1)OCc2cccc(c2)C(=O)O`
5RG	3T78	P9WFX7	155.1 Da LogP 1.11 TPSA 63.3	✓ Ro5	✓ Clean	`c1cc(c(cc1F)C(=O)O)N`
BE2	3T44	P9WFX7	137.1 Da LogP 0.97 TPSA 63.3	✓ Ro5	✓ Clean	`c1ccc(c(c1)C(=O)O)N`
BTB	4FB7	P9WFX7	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`C(CO)N(CCO)C(CO)(CO)CO`
IGP	3T44	P9WFX7	287.2 Da LogP 0.67 TPSA 123.0	✓ Ro5	✓ Clean	`c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O…`
MLI	3T55	P9WFX7	102.0 Da LogP -3.12 TPSA 80.3	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(=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
ZINC1615342	1.000	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`OCCN(CCO)C(CO)(CO)CO`
ZINC3159089	1.000	228.2 Da LogP 2.96 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2ccccc2)c1`
ZINC1748751	0.813	228.2 Da LogP 2.96 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(OCc2ccccc2)c1`
ZINC2521416	0.771	258.3 Da LogP 2.97 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(OCc2cccc(C(=O)O)c2)cc1`
ZINC2521429	0.771	246.2 Da LogP 3.10 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2ccc(F)cc2)c1`
ZINC2836260	0.771	354.1 Da LogP 3.57 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2ccc(I)cc2)c1`
ZINC356118	0.771	307.1 Da LogP 3.73 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2ccc(Br)cc2)c1`
ZINC466552	0.771	272.3 Da LogP 3.36 TPSA 55.8	✓ Ro5	✓ Clean	`CCOc1ccc(OCc2cccc(C(=O)O)c2)cc1`
ZINC4746517	0.771	258.3 Da LogP 2.46 TPSA 66.8	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2ccc(CO)cc2)c1`
ZINC548897	0.771	262.7 Da LogP 3.62 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2ccc(Cl)cc2)c1`
ZINC19519722	0.750	271.3 Da LogP 2.06 TPSA 89.6	✓ Ro5	✓ Clean	`NC(=O)c1ccc(OCc2cccc(C(=O)O)c2)cc1`
ZINC19808090	0.750	246.2 Da LogP 3.10 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2cccc(F)c2)c1`
ZINC2578413	0.750	307.1 Da LogP 3.73 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2cccc(Br)c2)c1`
ZINC2578450	0.750	284.4 Da LogP 4.26 TPSA 46.5	✓ Ro5	✓ Clean	`CC(C)(C)c1ccc(OCc2cccc(C(=O)O)c2)cc1`
ZINC2578451	0.750	258.3 Da LogP 2.97 TPSA 55.8	✓ Ro5	✓ Clean	`COc1cccc(OCc2cccc(C(=O)O)c2)c1`
ZINC32314	0.750	241.2 Da LogP 2.20 TPSA 80.4	✓ Ro5	Alert	`Nc1ccccc1C(=O)c1ccccc1C(=O)O`
ZINC356120	0.750	278.3 Da LogP 4.12 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2ccc3ccccc3c2)c1`
ZINC4294630	0.750	262.7 Da LogP 3.62 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2cccc(Cl)c2)c1`
ZINC466629	0.750	256.3 Da LogP 3.53 TPSA 46.5	✓ Ro5	✓ Clean	`CCc1ccc(OCc2cccc(C(=O)O)c2)cc1`
ZINC8729636	0.750	242.3 Da LogP 3.27 TPSA 46.5	✓ Ro5	✓ Clean	`Cc1cccc(OCc2cccc(C(=O)O)c2)c1`
ZINC19434922	0.737	253.3 Da LogP 2.84 TPSA 70.3	✓ Ro5	✓ Clean	`N#Cc1cccc(OCc2cccc(C(=O)O)c2)c1`
ZINC19802919	0.730	253.3 Da LogP 2.84 TPSA 70.3	✓ Ro5	✓ Clean	`N#Cc1ccc(OCc2cccc(C(=O)O)c2)cc1`
ZINC2597425	0.730	256.3 Da LogP 2.78 TPSA 63.6	✓ Ro5	✓ Clean	`O=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1`
ZINC16946859	0.722	304.3 Da LogP 4.63 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(-c2cccc(OCc3ccccc3)c2)c1`
ZINC203307995	0.722	242.3 Da LogP 3.05 TPSA 35.5	✓ Ro5	✓ Clean	`COC(=O)c1cccc(COc2ccccc2)c1`
ZINC8729642	0.722	256.3 Da LogP 3.58 TPSA 46.5	✓ Ro5	✓ Clean	`Cc1cc(C)cc(OCc2cccc(C(=O)O)c2)c1`
ZINC2576716	0.711	270.3 Da LogP 4.09 TPSA 46.5	✓ Ro5	✓ Clean	`CC(C)c1ccc(OCc2cccc(C(=O)O)c2)cc1`
ZINC37466450	0.711	256.3 Da LogP 2.78 TPSA 63.6	✓ Ro5	✓ Clean	`O=Cc1cccc(OCc2cccc(C(=O)O)c2)c1`
ZINC11802632	0.703	242.3 Da LogP 3.27 TPSA 46.5	✓ Ro5	✓ Clean	`Cc1cccc(COc2cccc(C(=O)O)c2)c1`
ZINC13419082	0.703	307.1 Da LogP 3.73 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(OCc2cccc(Br)c2)c1`
ZINC16946848	0.703	304.3 Da LogP 4.63 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(-c2ccc(OCc3ccccc3)cc2)c1`
ZINC4943981	0.703	246.2 Da LogP 3.10 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(OCc2cccc(F)c2)c1`
ZINC7603991	0.703	262.7 Da LogP 3.62 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(OCc2cccc(Cl)c2)c1`
ZINC1532902	0.700	206.2 Da LogP -0.86 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O`
ZINC2018106	0.700	206.2 Da LogP -0.86 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)CC[C@](O)(CC(=O)O)C(=O)O`
ZINC19472717	0.697	242.3 Da LogP 3.10 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COCc2ccccc2)c1`
ZINC2521417	0.692	273.2 Da LogP 2.87 TPSA 89.7	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1`
ZINC269415	0.690	215.2 Da LogP 2.64 TPSA 43.1	✓ Ro5	Alert	`Nc1ccc(F)cc1C(=O)c1ccccc1`
ZINC19479622	0.686	226.3 Da LogP 2.55 TPSA 59.1	✓ Ro5	✓ Clean	`N=C(N)c1cccc(COc2ccccc2)c1`
ZINC5162233	0.682	212.3 Da LogP 2.08 TPSA 69.1	✓ Ro5	Alert	`Nc1ccccc1C(=O)c1ccccc1N`
ZINC40564460	0.680	216.0 Da LogP 1.73 TPSA 63.3	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)O)c1Br`
ZINC22263788	0.675	298.3 Da LogP 3.49 TPSA 63.6	✓ Ro5	✓ Clean	`CC(=O)CCc1ccc(OCc2cccc(C(=O)O)c2)cc1`
ZINC37369446	0.675	306.3 Da LogP 2.37 TPSA 80.7	✓ Ro5	✓ Clean	`CS(=O)(=O)c1cccc(OCc2cccc(C(=O)O)c2)c1`
ZINC13080039	0.667	296.2 Da LogP 3.98 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1`
ZINC166323	0.667	228.2 Da LogP 2.96 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(COc2ccccc2)cc1`
ZINC169677	0.667	228.2 Da LogP 2.96 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(OCc2ccccc2)cc1`
ZINC2512344	0.667	219.0 Da LogP 2.29 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cc(F)ccc1Br`
ZINC2578452	0.658	307.1 Da LogP 3.73 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2ccccc2Br)c1`
ZINC280728	0.658	262.7 Da LogP 3.62 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2ccccc2Cl)c1`
ZINC465962	0.658	278.3 Da LogP 4.12 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(COc2cccc3ccccc23)c1`

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.