Protein profile

KP13_05356

Bifunctional anthranilate synthase/anthranilate phosphoribosyltransferase

Genome: KpKP13

Gene: trpD AHE45003.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GLX6

Export view

Amino acids 531

Annotations 3

Features 42

PDB binders 17

Druggability 0.783

Overview

Basic information about this protein and its source genome.

Accession: KP13_05356
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: trpD AHE45003.1
Status: annotated
Amino acids: 531
Structure source: AlphaFold + ColabFold

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:0016757 Catalysis of the transfer of a glycosyl group from one compound (donor) to another (acceptor). GO:0004048 Catalysis of the reaction: N-(5-phospho-beta-D-ribosyl)anthranilate + diphosphate = 5-phospho-alpha-D-ribose 1-diphosphate + 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: 92.72

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 0.783

Structure A0A0H3GLX6

Pocket Pocket 23

P2Rank 0.97

Structure A0A0H3GLX6

Pocket Pocket 1

ColabFold model

FPocket 0.525 · Pocket 4

P2Rank 0.959 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 67 / 4744 genomes with a hit

Normalized 0.014

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

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:0016757 Catalysis of the transfer of a glycosyl group from one compound (donor) to another (acceptor).
GO:0004048 Catalysis of the reaction: N-(5-phospho-beta-D-ribosyl)anthranilate + diphosphate = 5-phospho-alpha-D-ribose 1-diphosphate + anthranilate.

Sequence Features

Domain/signature hits from InterPro and related databases.

42 records

Show feature table

Start	End	DB	Term	Name
52	61	PRINTS	PR00096	Glutamine amidotransferase superfamily signature
166	179	PRINTS	PR00096	Glutamine amidotransferase superfamily signature
79	90	PRINTS	PR00096	Glutamine amidotransferase superfamily signature
202	262	Pfam	PF02885	Glycosyl transferase family, helical bundle domain
202	262	InterPro	IPR017459	Glycosyl transferase family 3, N-terminal domain
4	186	NCBIfam	TIGR00566	glutamine amidotransferase of anthranilate synthase or aminodeoxychorismate synthase
4	186	InterPro	IPR006221	Anthranilate synthase/para-aminobenzoate synthase like domain
192	275	FunFam	G3DSA:1.20.970.10:FF:000003	Anthranilate phosphoribosyltransferase
273	521	Pfam	PF00591	Glycosyl transferase family, a/b domain
273	521	InterPro	IPR000312	Glycosyl transferase, family 3
192	275	Gene3D	G3DSA:1.20.970.10	Transferase, Pyrimidine Nucleoside Phosphorylase; Chain C
197	524	PANTHER	PTHR43285	ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE
197	524	InterPro	IPR005940	Anthranilate phosphoribosyl transferase
204	528	NCBIfam	TIGR01245	anthranilate phosphoribosyltransferase
204	528	InterPro	IPR005940	Anthranilate phosphoribosyl transferase
2	191	Gene3D	G3DSA:3.40.50.880	-
2	191	InterPro	IPR029062	Class I glutamine amidotransferase-like
4	187	CDD	cd01743	GATase1_Anthranilate_Synthase
4	187	InterPro	IPR006221	Anthranilate synthase/para-aminobenzoate synthase like domain
276	530	Gene3D	G3DSA:3.40.1030.10	Nucleoside phosphorylase/phosphoribosyltransferase catalytic domain
276	530	InterPro	IPR035902	Nucleoside phosphorylase/phosphoribosyltransferase catalytic domain superfamily
79	95	PRINTS	PR00099	Carbamoyl-phosphate synthase protein GATase domain signature
49	63	PRINTS	PR00099	Carbamoyl-phosphate synthase protein GATase domain signature
6	186	Pfam	PF00117	Glutamine amidotransferase class-I
6	186	InterPro	IPR017926	Glutamine amidotransferase
3	191	SUPERFAMILY	SSF52317	Class I glutamine amidotransferase-like
3	191	InterPro	IPR029062	Class I glutamine amidotransferase-like
269	527	SUPERFAMILY	SSF52418	Nucleoside phosphorylase/phosphoribosyltransferase catalytic domain
269	527	InterPro	IPR035902	Nucleoside phosphorylase/phosphoribosyltransferase catalytic domain superfamily
269	530	FunFam	G3DSA:3.40.1030.10:FF:000002	Anthranilate phosphoribosyltransferase
124	136	PRINTS	PR00097	Anthranilate synthase component II signature
4	18	PRINTS	PR00097	Anthranilate synthase component II signature
79	90	PRINTS	PR00097	Anthranilate synthase component II signature
104	112	PRINTS	PR00097	Anthranilate synthase component II signature
166	179	PRINTS	PR00097	Anthranilate synthase component II signature
52	61	PRINTS	PR00097	Anthranilate synthase component II signature
3	196	ProSiteProfiles	PS51273	Glutamine amidotransferase type 1 domain profile.
2	191	FunFam	G3DSA:3.40.50.880:FF:000021	Anthranilate phosphoribosyltransferase
200	266	SUPERFAMILY	SSF47648	Nucleoside phosphorylase/phosphoribosyltransferase N-terminal domain
200	266	InterPro	IPR036320	Glycosyl transferase family 3, N-terminal domain superfamily
202	530	Hamap	MF_00211	Anthranilate phosphoribosyltransferase [trpD].
202	530	InterPro	IPR005940	Anthranilate phosphoribosyl transferase

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...

Legend High Medium Low

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_A0A0H3GLX6	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_05356	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
23				0.783

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	17.45	0.802
2	11.3	0.605
3	2.72	0.082

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
4				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	Score	Probability
1	23.84	0.893
2	3.34	0.118
3	2.02	0.044
4	1.58	0.024

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.

67 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
17C	4IJ1	P9WFX5	257.2 Da LogP 2.83 TPSA 86.6	✓ Ro5	✓ Clean	`c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O`
4M0	4OWS	P9WFX5	151.2 Da LogP 1.28 TPSA 63.3	✓ Ro5	✓ Clean	`Cc1ccc(c(c1)N)C(=O)O`
59L	4ZOF	A5U4M0	316.3 Da LogP 3.04 TPSA 129.8	✓ Ro5	✓ Clean	`Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O`
61L	4ZOJ	A5U4M0	287.4 Da LogP 4.47 TPSA 49.3	✓ Ro5	✓ Clean	`Cc1ccc(c(c1)Nc2c(cccc2SC)C)C(=O)O`
62L	4ZOK	A5U4M0	319.4 Da LogP 3.15 TPSA 83.5	✓ Ro5	✓ Clean	`Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O`
644	4M0R	P9WFX5	392.4 Da LogP 4.27 TPSA 136.0	✓ Ro5	✓ Clean	`c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=…`
7P1	5BO2	A5U4M0	395.3 Da LogP 2.77 TPSA 153.4	✓ Ro5	Alert	`c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCP(=O)(O)O`
7P2	5BO3	A5U4M0	409.3 Da LogP 3.16 TPSA 153.4	✓ Ro5	Alert	`c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCP(=O)(O…`
7P3	5BNE	P9WFX5	423.4 Da LogP 3.55 TPSA 153.4	✓ Ro5	Alert	`c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCCP(=O)(…`
BE2	4OWV	P9WFX5	137.1 Da LogP 0.97 TPSA 63.3	✓ Ro5	✓ Clean	`c1ccc(c(c1)C(=O)O)N`
BEN	2BPQ	P9WFX5	120.2 Da LogP 0.97 TPSA 49.9	✓ Ro5	✓ Clean	`[H]/N=C(\c1ccccc1)/N`
CXS	4HKM	Q8PD71	221.3 Da LogP 1.19 TPSA 66.4	✓ Ro5	✓ Clean	`C1CCC(CC1)NCCCS(=O)(=O)O`
FA0	4N8Q	P9WFX5	155.1 Da LogP 1.11 TPSA 63.3	✓ Ro5	✓ Clean	`c1cc(c(cc1F)N)C(=O)O`
MLT	4X58	P9WFX5	134.1 Da LogP -1.09 TPSA 94.8	✓ Ro5	✓ Clean	`C([C@H](C(=O)O)O)C(=O)O`
POP	4OWS	P9WFX5	176.0 Da LogP -2.08 TPSA 129.9	✓ Ro5	✓ Clean	`O[P@@](=O)([O-])O[P@@](=O)(O)[O-]`
PRP	4ZOF	A5U4M0	390.1 Da LogP -2.23 TPSA 229.7	1 viol.	✓ Clean	`C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=…`
TA7	4ZTV	A5U4M0	246.2 Da LogP 2.40 TPSA 43.4	✓ Ro5	✓ Clean	`COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F`

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
ZINC100034341	1.000	246.2 Da LogP 2.40 TPSA 43.4	✓ Ro5	✓ Clean	`COc1ccc(C(=O)CC(=O)C(F)(F)F)cc1`
ZINC100351835	1.000	390.1 Da LogP -2.23 TPSA 229.7	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@H](O[P@@](=O)(O)OP(=O)(O)…`
ZINC104897282	1.000	390.1 Da LogP -2.23 TPSA 229.7	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@H](O[P@](=O)(O)OP(=O)(O)O…`
ZINC13515641	1.000	390.1 Da LogP -2.23 TPSA 229.7	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@@H](O[P@@](=O)(O)OP(=O)(O)…`
ZINC154566	1.000	257.2 Da LogP 2.83 TPSA 86.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccccc1C(=O)O`
ZINC2004372	1.000	221.3 Da LogP 1.19 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCNC1CCCCC1`
ZINC255995137	1.000	390.1 Da LogP -2.23 TPSA 229.7	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@H](O[P@](=O)(O)OP(=O)(O)O…`
ZINC255995138	1.000	390.1 Da LogP -2.23 TPSA 229.7	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@H](O[P@](=O)(O)OP(=O)(O)O…`
ZINC8215630	1.000	390.1 Da LogP -2.23 TPSA 229.7	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@H](O[P@@](=O)(O)OP(=O)(O)O…`
ZINC4247392	0.952	348.4 Da LogP 4.57 TPSA 98.7	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccccc1Nc1ccccc1C(=O)O`
ZINC38364153	0.926	235.3 Da LogP 1.58 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCCNC1CCCCC1`
ZINC154642	0.870	213.2 Da LogP 3.13 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccccc1`
ZINC1710230	0.786	207.3 Da LogP 0.80 TPSA 66.4	✓ Ro5	✓ Clean	`O=S(=O)(O)CCNC1CCCCC1`
ZINC1875251926	0.771	309.1 Da LogP -1.91 TPSA 182.9	✓ Ro5	✓ Clean	`[O][P@](=O)(O)O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](…`
ZINC2173765	0.769	227.3 Da LogP 3.44 TPSA 49.3	✓ Ro5	✓ Clean	`Cc1ccccc1Nc1ccccc1C(=O)O`
ZINC3148993	0.769	247.7 Da LogP 3.78 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccccc1Cl`
ZINC3609637	0.769	228.3 Da LogP 2.71 TPSA 75.3	✓ Ro5	✓ Clean	`Nc1ccccc1Nc1ccccc1C(=O)O`
ZINC72662	0.769	231.2 Da LogP 3.27 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccccc1F`
ZINC100042039	0.765	296.2 Da LogP 3.03 TPSA 43.4	✓ Ro5	✓ Clean	`COc1ccc(C(=O)CC(=O)C(F)(F)C(F)(F)F)cc1`
ZINC100497170	0.765	262.6 Da LogP 2.67 TPSA 43.4	✓ Ro5	✓ Clean	`COc1ccc(C(=O)CC(=O)C(F)(F)Cl)cc1`
ZINC13522068	0.765	310.1 Da LogP -2.35 TPSA 183.2	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@…`
ZINC3870205	0.765	310.1 Da LogP -2.35 TPSA 183.2	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@@H](OP(=O)(O)O)[C@@H](O)[C…`
ZINC4095560	0.765	310.1 Da LogP -2.35 TPSA 183.2	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@@H](OP(=O)(O)O)[C@H](O)[C@…`
ZINC32314	0.750	241.2 Da LogP 2.20 TPSA 80.4	✓ Ro5	Alert	`Nc1ccccc1C(=O)c1ccccc1C(=O)O`
ZINC12502703	0.743	340.1 Da LogP -2.99 TPSA 203.4	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@@H](OP(=O)(O)O)[C@H](O)[C@…`
ZINC4095589	0.743	340.1 Da LogP -2.99 TPSA 203.4	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@…`
ZINC21999422	0.741	229.2 Da LogP 2.83 TPSA 69.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccc(O)cc1`
ZINC26897417	0.741	289.3 Da LogP 4.80 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccccc1-c1ccccc1`
ZINC3631865	0.741	257.2 Da LogP 2.83 TPSA 86.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Nc2ccccc2C(=O)O)cc1`
ZINC3876604	0.727	234.3 Da LogP 2.88 TPSA 43.4	✓ Ro5	✓ Clean	`COc1ccc(C(=O)CC(=O)C(C)(C)C)cc1`
ZINC102895904	0.724	354.2 Da LogP 3.10 TPSA 68.3	✓ Ro5	✓ Clean	`O=C(CC(=O)C(F)(F)F)c1ccc(C(=O)CC(=O)C(F)(F)F)cc1`
ZINC36294190	0.724	231.2 Da LogP 2.77 TPSA 63.3	✓ Ro5	✓ Clean	`Nc1cc(-c2ccc(F)cc2)ccc1C(=O)O`
ZINC100041989	0.722	346.2 Da LogP 3.67 TPSA 43.4	✓ Ro5	✓ Clean	`COc1ccc(C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1`
ZINC100068461	0.714	260.2 Da LogP 2.79 TPSA 43.4	✓ Ro5	✓ Clean	`CCOc1ccc(C(=O)CC(=O)C(F)(F)F)cc1`
ZINC100718804	0.714	274.2 Da LogP 3.18 TPSA 43.4	✓ Ro5	✓ Clean	`CC(C)Oc1ccc(C(=O)CC(=O)C(F)(F)F)cc1`
ZINC1606178	0.714	292.1 Da LogP 3.89 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccc(Br)cc1`
ZINC16545049	0.714	263.3 Da LogP 4.28 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1cccc2ccccc12`
ZINC1688663	0.714	228.3 Da LogP 2.71 TPSA 75.3	✓ Ro5	Alert	`Nc1ccc(Nc2ccccc2C(=O)O)cc1`
ZINC26479899	0.714	214.2 Da LogP 2.52 TPSA 62.2	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccncc1`
ZINC347210	0.714	247.7 Da LogP 3.78 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccc(Cl)cc1`
ZINC403440	0.714	231.2 Da LogP 3.27 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccc(F)cc1`
ZINC5160660	0.714	227.3 Da LogP 3.44 TPSA 49.3	✓ Ro5	✓ Clean	`Cc1ccc(Nc2ccccc2C(=O)O)cc1`
ZINC575408789	0.706	276.2 Da LogP 2.41 TPSA 52.6	✓ Ro5	✓ Clean	`COc1cc(OC)cc(C(=O)CC(=O)C(F)(F)F)c1`
ZINC36429	0.700	284.3 Da LogP 3.16 TPSA 52.6	✓ Ro5	✓ Clean	`COc1ccc(C(=O)CC(=O)c2ccc(OC)cc2)cc1`
ZINC1183	0.690	282.1 Da LogP 4.44 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1cccc(Cl)c1Cl`
ZINC1625	0.690	291.7 Da LogP 3.48 TPSA 86.6	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O`
ZINC2046924	0.690	281.2 Da LogP 4.15 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(O)c1ccccc1Nc1ccccc1C(F)(F)F`
ZINC21995266	0.690	255.3 Da LogP 4.25 TPSA 49.3	✓ Ro5	✓ Clean	`CC(C)c1ccccc1Nc1ccccc1C(=O)O`
ZINC21995270	0.690	269.3 Da LogP 4.43 TPSA 49.3	✓ Ro5	✓ Clean	`CC(C)(C)c1ccccc1Nc1ccccc1C(=O)O`
ZINC3173666	0.690	243.3 Da LogP 3.14 TPSA 58.6	✓ Ro5	✓ Clean	`COc1ccccc1Nc1ccccc1C(=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.