Protein profile

KP13_05357

Bifunctional indole-3-glycerol phosphate synthase/phosphoribosylanthranilate isomerase

Genome: KpKP13

Gene: AHE45004.1 trpC Structure source: AlphaFold + ColabFold UniProt A0A0H3GW36

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Amino acids 452

Annotations 4

Features 25

PDB binders 8

Druggability 0.972

Overview

Basic information about this protein and its source genome.

Accession: KP13_05357
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE45004.1 trpC
Status: annotated
Amino acids: 452
Structure source: AlphaFold + ColabFold

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:0004640 Catalysis of the reaction: N-(5-phospho-beta-D-ribosyl)anthranilate = 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate. GO:0006568 The chemical reactions and pathways involving tryptophan, the chiral amino acid 2-amino-3-(1H-indol-3-yl)propanoic acid. 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.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Cytoplasmic
ColabFold pLDDT: 96.74

Selected Druggability evidence

AlphaFold / UniProt model

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 0.972

Structure A0A0H3GW36

Pocket Pocket 1

P2Rank 0.916

Structure A0A0H3GW36

Pocket Pocket 1

ColabFold model

FPocket 0.966 · Pocket 1

P2Rank 0.923 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 140 / 4744 genomes with a hit

Normalized 0.03

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

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:0004640 Catalysis of the reaction: N-(5-phospho-beta-D-ribosyl)anthranilate = 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate.
GO:0006568 The chemical reactions and pathways involving tryptophan, the chiral amino acid 2-amino-3-(1H-indol-3-yl)propanoic acid.
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.

Sequence Features

Domain/signature hits from InterPro and related databases.

25 records

Show feature table

Start	End	DB	Term	Name
1	258	Gene3D	G3DSA:3.20.20.70	Aldolase class I
1	258	InterPro	IPR013785	Aldolase-type TIM barrel
2	260	PANTHER	PTHR22854	TRYPTOPHAN BIOSYNTHESIS PROTEIN
2	260	InterPro	IPR045186	Indole-3-glycerol phosphate synthase
257	450	SUPERFAMILY	SSF51366	Ribulose-phoshate binding barrel
257	450	InterPro	IPR011060	Ribulose-phosphate binding barrel
257	447	Pfam	PF00697	N-(5'phosphoribosyl)anthranilate (PRA) isomerase
257	447	InterPro	IPR001240	N-(5'phosphoribosyl) anthranilate isomerase (PRAI) domain
259	446	FunFam	G3DSA:3.20.20.70:FF:000165	Multifunctional fusion protein
1	251	SUPERFAMILY	SSF51366	Ribulose-phoshate binding barrel
1	251	InterPro	IPR011060	Ribulose-phosphate binding barrel
50	68	ProSitePatterns	PS00614	Indole-3-glycerol phosphate synthase signature.
50	68	InterPro	IPR001468	Indole-3-glycerol phosphate synthase, conserved site
1	256	FunFam	G3DSA:3.20.20.70:FF:000024	Indole-3-glycerol phosphate synthase
255	452	Hamap	MF_00135	N-(5'-phosphoribosyl)anthranilate isomerase [trpF].
255	452	InterPro	IPR001240	N-(5'phosphoribosyl) anthranilate isomerase (PRAI) domain
5	251	Pfam	PF00218	Indole-3-glycerol phosphate synthase
5	251	InterPro	IPR013798	Indole-3-glycerol phosphate synthase domain
3	254	Hamap	MF_00134_B	Indole-3-glycerol phosphate synthase [trpC].
3	254	InterPro	IPR013798	Indole-3-glycerol phosphate synthase domain
257	447	CDD	cd00405	PRAI
259	446	Gene3D	G3DSA:3.20.20.70	Aldolase class I
259	446	InterPro	IPR013785	Aldolase-type TIM barrel
39	252	CDD	cd00331	IGPS
39	252	InterPro	IPR013798	Indole-3-glycerol phosphate synthase 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

0 + 2

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold AF_A0A0H3GW36	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_05357	ColabFold	—	—	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				0.972

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	Sticks	Spheres	Surfaces	Score	Probability	Labels	Zoom	Positions
1				20.08	0.849
2				19.59	0.841

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				0.966

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	Sticks	Spheres	Surfaces	Score	Probability	Labels	Zoom	Positions
1				21.09	0.865
2				20.76	0.861

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.

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
137	1JCM	P00909	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)…`
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`
ZINC465988	0.658	258.3 Da LogP 2.97 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccccc1OCc1cccc(C(=O)O)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.