Protein profile

KP13_04504

flavin reductase domain-containing protein

Genome: KpKP13

Gene: AHE44378.1 Structure source: AlphaFold + ColabFold UniProt A0A2W0SEG2

Export view

Amino acids 193

Annotations 2

Features 8

PDB binders 4

Druggability 0.315

Overview

Basic information about this protein and its source genome.

Accession: KP13_04504
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE44378.1
Status: annotated
Amino acids: 193
Structure source: AlphaFold + ColabFold

GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes. GO:0016646 Catalysis of an oxidation-reduction (redox) reaction in which a CH-NH group acts as a hydrogen or electron donor and reduces NAD or NADP.

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: Unknown
ColabFold pLDDT: 96.57

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 0.315

Structure A0A2W0SEG2

Pocket Pocket 11

P2Rank 0.29

Structure A0A2W0SEG2

Pocket Pocket 1

ColabFold model

FPocket 0.283 · Pocket 1

P2Rank 0.306 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 66 / 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.

2 GO

Gene Ontology (GO)

GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.
GO:0016646 Catalysis of an oxidation-reduction (redox) reaction in which a CH-NH group acts as a hydrogen or electron donor and reduces NAD or NADP.

Sequence Features

Domain/signature hits from InterPro and related databases.

8 records

Show feature table

Start	End	DB	Term	Name
14	158	SMART	SM00903	Flavin_Reduct_2
14	158	InterPro	IPR002563	Flavin reductase like domain
20	154	Pfam	PF01613	Flavin reductase like domain
20	154	InterPro	IPR002563	Flavin reductase like domain
4	186	SUPERFAMILY	SSF50475	FMN-binding split barrel
7	189	PANTHER	PTHR43567	FLAVOREDOXIN-RELATED-RELATED
1	189	Gene3D	G3DSA:2.30.110.10	-
1	189	InterPro	IPR012349	FMN-binding split 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...

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_A0A2W0SEG2	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_04504	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
11				0.315
3				0.213

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	3.06	0.102
2	2.67	0.078
3	1.47	0.02

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				0.283

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	3.38	0.121
2	1.81	0.034
3	1.38	0.017

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.

54 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
A2Q	3ZOG	O58586	96.1 Da LogP 1.30 TPSA 17.1	✓ Ro5	✓ Clean	`C1CC=CC(=O)C1`
HBA	3ZOC	O58586	122.1 Da LogP 1.20 TPSA 37.3	✓ Ro5	✓ Clean	`c1cc(ccc1C=O)O`
HQE	3ZOD	O58586	110.1 Da LogP 1.10 TPSA 40.5	✓ Ro5	✓ Clean	`c1cc(ccc1O)O`
NCA	2R6V	O58586	122.1 Da LogP 0.18 TPSA 56.0	✓ Ro5	✓ Clean	`c1cc(cnc1)C(=O)N`

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
ZINC13558894	0.727	262.3 Da LogP 4.43 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cc1`
ZINC2386334759	0.727	226.2 Da LogP 3.62 TPSA 62.0	✓ Ro5	Alert	`O=Cc1ccc(N=Nc2ccc(O)cc2)cc1`
ZINC1592410	0.708	212.2 Da LogP 1.54 TPSA 59.9	✓ Ro5	Alert	`O=C(C(=O)c1cccnc1)c1cccnc1`
ZINC254506830	0.667	200.3 Da LogP 3.08 TPSA 17.1	✓ Ro5	✓ Clean	`O=C1C=CCCCc2ccc(cc2)CC1`
ZINC116431	0.636	241.2 Da LogP 1.43 TPSA 85.1	✓ Ro5	✓ Clean	`NC(=O)c1ccc(NC(=O)c2cccnc2)cc1`
ZINC10030294	0.618	241.2 Da LogP 1.43 TPSA 85.1	✓ Ro5	✓ Clean	`NC(=O)c1cccc(NC(=O)c2cccnc2)c1`
ZINC8379324	0.618	284.3 Da LogP 0.53 TPSA 128.2	✓ Ro5	✓ Clean	`NC(=O)c1cc(NC(=O)c2cccnc2)cc(C(N)=O)c1`
ZINC391103	0.615	220.0 Da LogP 2.00 TPSA 20.2	✓ Ro5	✓ Clean	`Oc1ccc(I)cc1`
ZINC100083979	0.607	226.2 Da LogP 1.93 TPSA 59.9	✓ Ro5	✓ Clean	`O=C(CC(=O)c1cccnc1)c1cccnc1`
ZINC95951757	0.607	240.3 Da LogP 0.50 TPSA 102.5	✓ Ro5	✓ Clean	`N/C(=N\N=C(/N)c1cccnc1)c1cccnc1`
ZINC1698713	0.600	272.3 Da LogP 1.49 TPSA 78.4	✓ Ro5	✓ Clean	`O=C(OCCOC(=O)c1cccnc1)c1cccnc1`
ZINC114628575	0.579	236.3 Da LogP 3.48 TPSA 34.1	✓ Ro5	✓ Clean	`O=Cc1ccc(/C=C\c2ccc(C=O)cc2)cc1`
ZINC116811203	0.579	286.3 Da LogP 4.65 TPSA 34.1	✓ Ro5	✓ Clean	`O=Cc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1`
ZINC13319959	0.579	212.2 Da LogP 3.27 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(/C=C\c2ccc(O)cc2)cc1`
ZINC1510311	0.579	212.2 Da LogP 3.27 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(/C=C/c2ccc(O)cc2)cc1`
ZINC1875408805	0.579	212.2 Da LogP 3.27 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(C=Cc2ccc(O)cc2)cc1`
ZINC2041311	0.579	210.2 Da LogP 2.98 TPSA 34.1	✓ Ro5	✓ Clean	`O=Cc1ccc(-c2ccc(C=O)cc2)cc1`
ZINC33847575	0.579	236.3 Da LogP 3.48 TPSA 34.1	✓ Ro5	✓ Clean	`O=Cc1ccc(/C=C/c2ccc(C=O)cc2)cc1`
ZINC12428972	0.571	214.2 Da LogP 3.51 TPSA 65.2	✓ Ro5	Alert	`Oc1ccc(/N=N/c2ccc(O)cc2)cc1`
ZINC136152	0.571	200.2 Da LogP 2.69 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(Cc2ccc(O)cc2)cc1`
ZINC136154	0.571	218.3 Da LogP 3.25 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(Sc2ccc(O)cc2)cc1`
ZINC1562031	0.571	214.3 Da LogP 2.88 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(CCc2ccc(O)cc2)cc1`
ZINC186362	0.571	201.2 Da LogP 2.84 TPSA 52.5	✓ Ro5	✓ Clean	`Oc1ccc(Nc2ccc(O)cc2)cc1`
ZINC254488515	0.571	214.2 Da LogP 3.51 TPSA 65.2	✓ Ro5	Alert	`Oc1ccc(N=Nc2ccc(O)cc2)cc1`
ZINC283706	0.571	294.3 Da LogP 4.68 TPSA 58.9	✓ Ro5	✓ Clean	`Oc1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1`
ZINC2924369	0.571	242.2 Da LogP 2.16 TPSA 74.6	✓ Ro5	Alert	`O=C(C(=O)c1ccc(O)cc1)c1ccc(O)cc1`
ZINC33961815	0.571	210.2 Da LogP 2.50 TPSA 40.5	✓ Ro5	✓ Clean	`Oc1ccc(C#Cc2ccc(O)cc2)cc1`
ZINC39365182	0.571	384.4 Da LogP 4.89 TPSA 80.9	✓ Ro5	✓ Clean	`Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(O)cc2)c…`
ZINC394643	0.571	202.2 Da LogP 2.89 TPSA 49.7	✓ Ro5	✓ Clean	`Oc1ccc(Oc2ccc(O)cc2)cc1`
ZINC4887214	0.571	292.3 Da LogP 3.98 TPSA 60.7	✓ Ro5	✓ Clean	`Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1`
ZINC4963136	0.571	311.4 Da LogP 3.90 TPSA 60.7	✓ Ro5	✓ Clean	`Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1`
ZINC100077468	0.567	225.2 Da LogP 2.54 TPSA 47.0	✓ Ro5	✓ Clean	`O=C(CC(=O)c1cccnc1)c1ccccc1`
ZINC101814612	0.563	225.2 Da LogP 2.86 TPSA 50.2	✓ Ro5	✓ Clean	`O=C(/C=C(\O)c1cccnc1)c1ccccc1`
ZINC1997173	0.563	286.3 Da LogP 1.88 TPSA 78.4	✓ Ro5	✓ Clean	`O=C(OCCCOC(=O)c1cccnc1)c1cccnc1`
ZINC127526	0.556	241.2 Da LogP 1.43 TPSA 85.1	✓ Ro5	✓ Clean	`NC(=O)c1ccccc1NC(=O)c1cccnc1`
ZINC1582115	0.548	270.3 Da LogP 0.64 TPSA 84.0	✓ Ro5	✓ Clean	`O=C(NCCNC(=O)c1cccnc1)c1cccnc1`
ZINC241589	0.548	200.2 Da LogP 1.70 TPSA 52.1	✓ Ro5	✓ Clean	`O=C(Oc1cccnc1)c1cccnc1`
ZINC3077252	0.548	318.3 Da LogP 2.98 TPSA 84.0	✓ Ro5	✓ Clean	`O=C(Nc1ccc(NC(=O)c2cccnc2)cc1)c1cccnc1`
ZINC3150114	0.548	296.3 Da LogP 1.07 TPSA 66.4	✓ Ro5	✓ Clean	`O=C(c1cccnc1)N1CCN(C(=O)c2cccnc2)CC1`
ZINC65751	0.545	318.3 Da LogP 2.98 TPSA 84.0	✓ Ro5	✓ Clean	`O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1cccnc1`
ZINC8288513	0.545	348.4 Da LogP 3.19 TPSA 78.4	✓ Ro5	✓ Clean	`O=C(OCc1ccc(COC(=O)c2cccnc2)cc1)c1cccnc1`
ZINC18161669	0.543	241.3 Da LogP 1.56 TPSA 77.6	✓ Ro5	✓ Clean	`N/C(=N\OC(=O)c1ccccc1)c1cccnc1`
ZINC82205	0.543	204.3 Da LogP 2.00 TPSA 56.0	✓ Ro5	✓ Clean	`CC(C)(C)C(=O)/C=C(\N)c1cccnc1`
ZINC152815394	0.541	242.2 Da LogP 0.83 TPSA 98.0	✓ Ro5	✓ Clean	`NC(=O)c1cccc(NC(=O)c2cccnc2)n1`
ZINC1306	0.533	240.3 Da LogP 4.05 TPSA 40.5	✓ Ro5	✓ Clean	`C/C(=C(/C)c1ccc(O)cc1)c1ccc(O)cc1`
ZINC2034791	0.533	240.3 Da LogP 4.05 TPSA 40.5	✓ Ro5	✓ Clean	`C/C(=C(\C)c1ccc(O)cc1)c1ccc(O)cc1`
ZINC28449	0.533	214.2 Da LogP 2.33 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1)c1ccc(O)cc1`
ZINC332365	0.533	318.3 Da LogP 3.56 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1)c1ccc(C(=O)c2ccc(O)cc2)cc1`
ZINC4327575	0.533	212.2 Da LogP 3.16 TPSA 40.5	✓ Ro5	✓ Clean	`C=C(c1ccc(O)cc1)c1ccc(O)cc1`
ZINC2584594	0.531	262.1 Da LogP 3.08 TPSA 30.0	✓ Ro5	✓ Clean	`O=C(c1ccc(Br)cc1)c1cccnc1`

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.