Protein profile

VK055_1448

quinone oxidoreductase, type IV

Genome: KpATCC43816

Gene: wrbA AIK80069.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GQX1
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Amino acids 198
Annotations 10
Features 14
PDB binders 3
Druggability 0.139

Overview

Basic information about this protein and its source genome.

Accession
VK055_1448
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
wrbA AIK80069.1
Status
annotated
Amino acids
198
Structure source
AlphaFold + ColabFold
EC
1.6.5.2
GO
GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced. GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes. GO:0003955 Catalysis of the reaction: NAD(P)H + H+ + a quinone = NAD(P)+ + a quinol. GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0050660 Binding to FAD, flavin-adenine dinucleotide, the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes, in either the oxidized form, FAD, or the reduced form, FADH2. GO:0051287 Binding to nicotinamide adenine dinucleotide, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NAD+, or the reduced form, NADH.

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 (%)
35.329
Localization
Unknown
ColabFold pLDDT
98.28

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 0.139
Structure A0A0H3GQX1
Pocket Pocket 1
P2Rank 0.363
Structure A0A0H3GQX1
Pocket Pocket 1
ColabFold model
FPocket 0.337 · Pocket 2
P2Rank 0.441 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 102 / 4744 genomes with a hit
Normalized 0.022

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 9 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

9
  • GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
  • GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.
  • GO:0003955 Catalysis of the reaction: NAD(P)H + H+ + a quinone = NAD(P)+ + a quinol.
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0050660 Binding to FAD, flavin-adenine dinucleotide, the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes, in either the oxidized form, FAD, or the reduced form, FADH2.
  • GO:0051287 Binding to nicotinamide adenine dinucleotide, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NAD+, or the reduced form, NADH.
  • GO:0050136 Catalysis of the reaction: NADH + H+ + a quinone = NAD+ + a quinol.
  • GO:0050661 Binding to nicotinamide-adenine dinucleotide phosphate, a coenzyme involved in many redox and biosynthetic reactions; binding may be to either the oxidized form, NADP+, or the reduced form, NADPH.
  • GO:0008753 Catalysis of the reaction: NADPH + H+ + a quinone = NADP+ + a quinol.

Sequence Features

Domain/signature hits from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
3 197 PANTHER PTHR30546 FLAVODOXIN-RELATED PROTEIN WRBA-RELATED
2 198 FunFam G3DSA:3.40.50.360:FF:000004 NAD(P)H dehydrogenase (quinone)
4 142 Pfam PF03358 NADPH-dependent FMN reductase
4 142 InterPro IPR005025 NADPH-dependent FMN reductase-like
1 198 Hamap MF_01017 NAD(P)H dehydrogenase (quinone).
1 198 InterPro IPR037513 NAD(P)H dehydrogenase (quinone), prokaryotic
1 197 SUPERFAMILY SSF52218 Flavoproteins
1 197 InterPro IPR029039 Flavoprotein-like superfamily
4 189 ProSiteProfiles PS50902 Flavodoxin-like domain profile.
4 189 InterPro IPR008254 Flavodoxin/nitric oxide synthase
2 196 NCBIfam TIGR01755 NAD(P)H:quinone oxidoreductase, type IV
2 196 InterPro IPR010089 Flavoprotein WrbA-like
2 198 Gene3D G3DSA:3.40.50.360 -
2 198 InterPro IPR029039 Flavoprotein-like superfamily

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

3D visualization script Full viewer

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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_A0A0H3GQX1
AlphaFold — — full sequence — Viewing
ColabFold VK055_1448
ColabFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

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 4.82 0.215

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

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
15P
3B6I
P0A8G6 1529.8 Da LogP 0.17 TPSA 334.1 2 viol. ✓ Clean COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO…
MHO
4YQE
P0A8G6 165.2 Da LogP -0.83 TPSA 80.4 ✓ Ro5 ✓ Clean C[S@](=O)CC[C@@H](C(=O)O)N
PLQ
3B6K
P0A8G6 108.1 Da LogP 0.25 TPSA 34.1 ✓ Ro5 Alert C1=CC(=O)C=CC1=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.