Protein profile

KP13_01448

Chorismate mutase

Genome: KpKP13

Gene: AHE47221.1 aroH Structure source: AlphaFold + ColabFold UniProt A0A1J0R019

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Amino acids 101

Annotations 4

Features 12

PDB binders 3

Druggability 0.525

Overview

Basic information about this protein and its source genome.

Accession: KP13_01448
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE47221.1 aroH
Status: annotated
Amino acids: 101
Structure source: AlphaFold + ColabFold

5.4.99.5

GO:0046417 The chemical reactions and pathways involving chorismate, the anion of (3R-trans)-3-((1-carboxyethenyl)oxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid. GO:0004106 Catalysis of the reaction: chorismate = prephenate. GO:0009697 The chemical reactions and pathways resulting in the formation of salicylic acid (2-hydroxybenzoic acid), a derivative of benzoic acid.

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: 90.32

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 0.525

Structure A0A1J0R019

Pocket Pocket 1

P2Rank 0.153

Structure A0A1J0R019

Pocket Pocket 1

ColabFold model

FPocket 0.643 · Pocket 5

P2Rank 0.131 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 10 / 4744 genomes with a hit

Normalized 0.002

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)

5.4.99.5

Gene Ontology (GO)

GO:0046417 The chemical reactions and pathways involving chorismate, the anion of (3R-trans)-3-((1-carboxyethenyl)oxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid.
GO:0004106 Catalysis of the reaction: chorismate = prephenate.
GO:0009697 The chemical reactions and pathways resulting in the formation of salicylic acid (2-hydroxybenzoic acid), a derivative of benzoic acid.

Sequence Features

Domain/signature hits from InterPro and related databases.

12 records

Show feature table

Start	End	DB	Term	Name
6	26	Coils	Coil	Coil
1	90	ProSiteProfiles	PS51168	Chorismate mutase domain profile.
1	90	InterPro	IPR002701	Chorismate mutase II, prokaryotic-type
10	89	SMART	SM00830	CM_2_4
10	89	InterPro	IPR002701	Chorismate mutase II, prokaryotic-type
10	86	Pfam	PF01817	Chorismate mutase type II
10	86	InterPro	IPR002701	Chorismate mutase II, prokaryotic-type
6	97	PANTHER	PTHR38041	CHORISMATE MUTASE
2	97	Gene3D	G3DSA:1.20.59.10	Chorismate mutase
2	97	InterPro	IPR036979	Chorismate mutase domain superfamily
6	87	SUPERFAMILY	SSF48600	Chorismate mutase II
6	87	InterPro	IPR036263	Chorismate mutase type II superfamily

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_A0A1J0R019	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_01448	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				0.525

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				2.95	0.095

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
5				0.643
2				0.206

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				2.86	0.09

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.

53 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
PYR	2H9D	Q51507	88.1 Da LogP -0.34 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)C(=O)O`
SAL	3HGX	Q51507	138.1 Da LogP 1.09 TPSA 57.5	✓ Ro5	✓ Clean	`c1ccc(c(c1)C(=O)O)O`
TSA	2GTV	Q57696	228.2 Da LogP -0.38 TPSA 104.1	✓ Ro5	✓ Clean	`C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=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
ZINC400143	0.652	214.2 Da LogP 2.76 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1-c1ccccc1O`
ZINC38392758	0.650	242.2 Da LogP 2.16 TPSA 74.6	✓ Ro5	Alert	`O=C(C(=O)c1ccccc1O)c1ccccc1O`
ZINC404363	0.650	214.2 Da LogP 2.33 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(c1ccccc1O)c1ccccc1O`
ZINC105146	0.619	242.2 Da LogP 2.75 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1-c1ccccc1C(=O)O`
ZINC2062	0.593	258.2 Da LogP 2.31 TPSA 83.8	✓ Ro5	✓ Clean	`O=C(Oc1ccccc1C(=O)O)c1ccccc1O`
ZINC82369423	0.583	217.0 Da LogP 1.85 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(O)c1Br`
ZINC95713705	0.583	264.0 Da LogP 1.70 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1cccc(O)c1I`
ZINC149361708	0.577	230.2 Da LogP 2.46 TPSA 77.8	✓ Ro5	✓ Clean	`O=C(O)c1cccc(-c2ccccc2O)c1O`
ZINC1577073	0.577	214.2 Da LogP 2.76 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1cc(-c2ccccc2)ccc1O`
ZINC39194529	0.577	214.2 Da LogP 2.76 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccccc2)cc1O`
ZINC148036793	0.571	378.3 Da LogP 3.53 TPSA 110.1	✓ Ro5	✓ Clean	`O=C(Oc1ccccc1C(=O)Oc1ccccc1C(=O)O)c1ccccc1O`
ZINC1600331	0.571	330.2 Da LogP 2.15 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)c1cccc(C(=O)O)c1-c1c(C(=O)O)cccc1C(=O)O`
ZINC1670022	0.571	258.2 Da LogP 2.03 TPSA 94.8	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1cc(O)ccc1O`
ZINC164706	0.565	201.0 Da LogP 2.15 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Br`
ZINC2453187	0.565	257.2 Da LogP 1.67 TPSA 86.6	✓ Ro5	✓ Clean	`O=C(NC(=O)c1ccccc1O)c1ccccc1O`
ZINC90931	0.565	248.0 Da LogP 1.99 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1I`
ZINC553173	0.560	326.4 Da LogP 1.70 TPSA 81.1	✓ Ro5	✓ Clean	`O=C(c1ccccc1O)N1CCN(C(=O)c2ccccc2O)CC1`
ZINC1616707	0.552	270.3 Da LogP 2.91 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(CCc1ccccc1C(=O)O)c1ccccc1O`
ZINC388710	0.545	210.1 Da LogP 0.78 TPSA 111.9	✓ Ro5	✓ Clean	`O=C(O)c1cccc(C(=O)O)c1C(=O)O`
ZINC389564	0.545	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)O)c2ccccc12`
ZINC4289585	0.545	226.1 Da LogP 0.49 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1O`
ZINC45070868	0.545	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1cccc2c(C(=O)O)cccc12`
ZINC146669761	0.542	274.2 Da LogP 2.16 TPSA 115.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(C(=O)O)c(O)c2)cc1O`
ZINC154566	0.542	257.2 Da LogP 2.83 TPSA 86.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccccc1C(=O)O`
ZINC157193	0.542	226.2 Da LogP 2.62 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1ccccc1`
ZINC1604722	0.542	326.3 Da LogP 2.93 TPSA 108.7	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)CCC(=O)c1ccccc1C(=O)O`
ZINC256346309	0.542	270.2 Da LogP 3.50 TPSA 99.3	✓ Ro5	Alert	`O=C(O)c1ccccc1N=Nc1ccccc1C(=O)O`
ZINC34572642	0.542	274.2 Da LogP 2.16 TPSA 115.1	✓ Ro5	✓ Clean	`O=C(O)c1cc(-c2ccc(O)c(C(=O)O)c2)ccc1O`
ZINC3845505	0.542	268.3 Da LogP 3.25 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1/C=C/c1ccccc1C(=O)O`
ZINC410108	0.542	258.2 Da LogP 2.88 TPSA 83.8	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Oc1ccccc1C(=O)O`
ZINC5369059	0.542	274.3 Da LogP 3.23 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Sc1ccccc1C(=O)O`
ZINC5771961	0.542	256.3 Da LogP 2.67 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Cc1ccccc1C(=O)O`
ZINC62723773	0.542	270.2 Da LogP 3.50 TPSA 99.3	✓ Ro5	Alert	`O=C(O)c1ccccc1/N=N/c1ccccc1C(=O)O`
ZINC17991503	0.538	240.3 Da LogP 2.85 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(CC(=O)c1ccccc1O)c1ccccc1`
ZINC1845893	0.538	201.2 Da LogP 0.03 TPSA 97.5	✓ Ro5	✓ Clean	`NS(=O)(=O)c1ccccc1C(=O)O`
ZINC2057	0.538	213.2 Da LogP 2.64 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1)c1ccccc1O`
ZINC2559138	0.538	212.2 Da LogP 2.82 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(Cc1ccccc1)c1ccccc1O`
ZINC38545	0.538	214.2 Da LogP 2.61 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(Oc1ccccc1)c1ccccc1O`
ZINC3157157	0.533	276.7 Da LogP 2.97 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1C(=O)c1cc(Cl)ccc1O`
ZINC393330	0.533	256.3 Da LogP 2.63 TPSA 74.6	✓ Ro5	✓ Clean	`Cc1ccc(O)c(C(=O)c2ccccc2C(=O)O)c1`
ZINC391925	0.526	254.1 Da LogP 0.48 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O`
ZINC1559267	0.522	292.0 Da LogP 1.69 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1cccc(C(=O)O)c1I`
ZINC3158512	0.522	245.0 Da LogP 1.85 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1cccc(C(=O)O)c1Br`
ZINC391804	0.522	216.2 Da LogP 2.24 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1cc2ccccc2cc1C(=O)O`
ZINC6750304	0.522	200.6 Da LogP 1.74 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1cccc(C(=O)O)c1Cl`
ZINC173169	0.520	306.3 Da LogP 1.92 TPSA 108.7	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1S(=O)(=O)c1ccccc1C(=O)O`
ZINC2048532660	0.520	350.3 Da LogP 3.83 TPSA 115.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-c3ccc(C(=O)O)c(O)c3)cc2)cc1O`
ZINC2048532872	0.520	350.3 Da LogP 3.83 TPSA 115.1	✓ Ro5	✓ Clean	`O=C(O)c1cc(-c2ccc(-c3ccc(O)c(C(=O)O)c3)cc2)ccc1O`
ZINC253497329	0.520	266.0 Da LogP 1.34 TPSA 54.4	✓ Ro5	✓ Clean	`O=[IH2]c1ccccc1C(=O)O`
ZINC4247392	0.520	348.4 Da LogP 4.57 TPSA 98.7	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccccc1Nc1ccccc1C(=O)O`

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.