Protein profile

VK055_3392

ilvN

Genome: KpATCC43816

Gene: ilvN2 AIK81949.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GYZ5

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Amino acids 95

Annotations 7

Features 11

PDB binders 0

Druggability 0.222

Overview

Basic information about this protein and its source genome.

Accession: VK055_3392
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: ilvN2 AIK81949.1
Status: annotated
Amino acids: 95
Structure source: AlphaFold + ColabFold

2.2.1.6

GO:1990610 Binds to and modulates the activity of acetolactate synthase. GO:0009082 The chemical reactions and pathways resulting in the formation of amino acids containing a branched carbon skeleton, comprising isoleucine, leucine and valine. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0003984 Catalysis of the reaction: H+ + 2 pyruvate = (2S)-2-acetolactate + CO2. Can also convert 2-oxobutanoate and pyruvate to (S)-2-ethyl-2-hydroxy-3-oxobutanoate. GO:0009097 OBSOLETE. The chemical reactions and pathways resulting in the formation of isoleucine, (2R*,3R*)-2-amino-3-methylpentanoic acid. GO:0009099 The chemical reactions and pathways resulting in the formation of valine, 2-amino-3-methylbutanoic acid.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 40.58
DEG E-value: 1.69e-10
Localization: Unknown
ColabFold pLDDT: 80.69

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 0.222

Structure A0A0H3GYZ5

Pocket Pocket 3

P2Rank 0.061

Structure A0A0H3GYZ5

Pocket Pocket 1

ColabFold model

FPocket 0.381 · Pocket 1

P2Rank 0.027 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 96 / 4744 genomes with a hit

Normalized 0.02

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

2.2.1.6

Gene Ontology (GO)

GO:1990610 Binds to and modulates the activity of acetolactate synthase.
GO:0009082 The chemical reactions and pathways resulting in the formation of amino acids containing a branched carbon skeleton, comprising isoleucine, leucine and valine.
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0003984 Catalysis of the reaction: H+ + 2 pyruvate = (2S)-2-acetolactate + CO2. Can also convert 2-oxobutanoate and pyruvate to (S)-2-ethyl-2-hydroxy-3-oxobutanoate.
GO:0009097 OBSOLETE. The chemical reactions and pathways resulting in the formation of isoleucine, (2R*,3R*)-2-amino-3-methylpentanoic acid.
GO:0009099 The chemical reactions and pathways resulting in the formation of valine, 2-amino-3-methylbutanoic acid.

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
9	82	ProSiteProfiles	PS51671	ACT domain profile.
9	82	InterPro	IPR002912	ACT domain
1	95	FunFam	G3DSA:3.30.70.260:FF:000011	Acetolactate synthase isozyme 1 small subunit
8	79	SUPERFAMILY	SSF55021	ACT-like
8	79	InterPro	IPR045865	ACT-like domain
9	77	CDD	cd04878	ACT_AHAS
9	77	InterPro	IPR039557	AHAS, ACT domain
3	85	PANTHER	PTHR30239	ACETOLACTATE SYNTHASE SMALL SUBUNIT
3	85	InterPro	IPR004789	Acetolactate synthase, small subunit
17	77	Pfam	PF13710	ACT domain
1	95	Gene3D	G3DSA:3.30.70.260	-

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_A0A0H3GYZ5	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_3392	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
3				0.222

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				1.34	0.015
2				1.23	0.012

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				0.381

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				0.81	0.003

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.

50 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.

No PDB ligands found through similar proteins.

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
ZINC2384798	0.607	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC2391059	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](C)CC`
ZINC40472549	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(=O)O)[C@@H](C)…`
ZINC40490721	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O…`
ZINC5909388	0.586	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O)O`
ZINC4899467	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC5662848	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC5662849	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC5662850	0.567	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC64219359	0.565	202.3 Da LogP -0.41 TPSA 106.4	✓ Ro5	✓ Clean	`CC(C)[C@H](C(=O)[C@@H](C)N)[C@H](N)C(=O)O`
ZINC64219360	0.565	202.3 Da LogP -0.41 TPSA 106.4	✓ Ro5	✓ Clean	`CC(C)[C@@H](C(=O)[C@@H](C)N)[C@H](N)C(=O)O`
ZINC79670384	0.565	202.3 Da LogP -0.41 TPSA 106.4	✓ Ro5	✓ Clean	`CC(C)[C@@H](C(=O)[C@H](C)N)[C@H](N)C(=O)O`
ZINC79670387	0.565	202.3 Da LogP -0.41 TPSA 106.4	✓ Ro5	✓ Clean	`CC(C)[C@H](C(=O)[C@H](C)N)[C@H](N)C(=O)O`
ZINC255963942	0.548	357.5 Da LogP 1.51 TPSA 121.5	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)…`
ZINC255963943	0.548	357.5 Da LogP 1.51 TPSA 121.5	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)…`
ZINC2560984	0.548	246.3 Da LogP -0.60 TPSA 129.7	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC2575119	0.548	218.3 Da LogP -1.08 TPSA 112.7	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)O`
ZINC39831468	0.548	357.5 Da LogP 1.51 TPSA 121.5	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)…`
ZINC4762961	0.548	357.5 Da LogP 1.51 TPSA 121.5	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)…`
ZINC13529436	0.533	212.3 Da LogP 1.76 TPSA 46.3	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N1CCCCCC1`
ZINC19502834	0.533	212.3 Da LogP 1.76 TPSA 46.3	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)N1CCCCCC1`
ZINC19502836	0.533	212.3 Da LogP 1.76 TPSA 46.3	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](N)C(=O)N1CCCCCC1`
ZINC19502838	0.533	212.3 Da LogP 1.76 TPSA 46.3	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@H](N)C(=O)N1CCCCCC1`
ZINC13508097	0.531	234.3 Da LogP -0.14 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)O`
ZINC2556613	0.531	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O`
ZINC1848346	0.520	216.3 Da LogP 0.20 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC1848348	0.520	216.3 Da LogP 0.20 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)[C@H](NC(=O)[C@H](N)C(C)C)C(=O)O`
ZINC1848350	0.520	216.3 Da LogP 0.20 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)[C@H](N)C(=O)N[C@@H](C(=O)O)C(C)C`
ZINC1848352	0.520	216.3 Da LogP 0.20 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)[C@@H](N)C(=O)N[C@@H](C(=O)O)C(C)C`
ZINC11959312	0.516	213.3 Da LogP 0.13 TPSA 49.6	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@H](N)C(=O)N1CCN(C)CC1`
ZINC11959315	0.516	213.3 Da LogP 0.13 TPSA 49.6	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N1CCN(C)CC1`
ZINC19504598	0.516	213.3 Da LogP 0.13 TPSA 49.6	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)N1CCN(C)CC1`
ZINC19504599	0.516	213.3 Da LogP 0.13 TPSA 49.6	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](N)C(=O)N1CCN(C)CC1`
ZINC2390958	0.516	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O`
ZINC40472548	0.516	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](NC(=O)[C@@H](N)C(C)C)C(=O)O`
ZINC8577168	0.516	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](NC(=O)[C@@H](N)C(C)C)C(=O)O`
ZINC2522618	0.515	245.3 Da LogP -1.20 TPSA 135.5	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O`
ZINC11959285	0.500	200.3 Da LogP 0.22 TPSA 55.6	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@H](N)C(=O)N1CCOCC1`
ZINC11959288	0.500	200.3 Da LogP 0.22 TPSA 55.6	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N1CCOCC1`
ZINC1575515	0.500	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)N)C(=O)O`
ZINC19506206	0.500	200.3 Da LogP 0.22 TPSA 55.6	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)N1CCOCC1`
ZINC2384845	0.500	260.3 Da LogP -0.21 TPSA 129.7	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O`
ZINC25624992	0.500	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](NC(=O)[C@H](C)N)C(=O)O`
ZINC25625001	0.500	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)O`
ZINC36158109	0.500	221.3 Da LogP 2.10 TPSA 52.3	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)OCc1ccccc1`
ZINC36158113	0.500	221.3 Da LogP 2.10 TPSA 52.3	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)OCc1ccccc1`
ZINC37246007	0.500	221.3 Da LogP 2.10 TPSA 52.3	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@H](N)C(=O)OCc1ccccc1`
ZINC37246008	0.500	221.3 Da LogP 2.10 TPSA 52.3	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](N)C(=O)OCc1ccccc1`
ZINC4787500	0.500	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](NC(=O)[C@@H](C)N)C(=O)O`
ZINC8577157	0.500	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](NC(=O)[C@H](C)N)C(=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.