Protein profile

HT085_RS00300

4-hydroxyphenylacetate 3-monooxygenase, reductase component

Genome: NZ_AP023069.1

Gene: WHOF_00060 ESCNG_350005 NGO_0059 N776_09025 hpaC TUM19854C_00500 NCTC11421_02845 WHOF_01985 NGK_0083 E8M63_11560 Structure source: AlphaFold UniProt A0AA44U8K6 UniProt Q5FAG3 UniProt A0A1D3GAZ8 UniProt B4RP05
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Amino acids 166
Annotations 6
Features 11
PDB binders 2

Overview

Basic information about this protein and its source genome.

Accession
HT085_RS00300
Assembly
Neisseria gonorrhoeae strain TUM19854 chromosome, complete genome
Gene
WHOF_00060 ESCNG_350005 NGO_0059 N776_09025 hpaC TUM19854C_00500 NCTC11421_02845 WHOF_01985 NGK_0083 E8M63_11560
Status
annotated
Amino acids
166
Structure source
AlphaFold
GO
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:0016651 Catalysis of an oxidation-reduction (redox) reaction in which NADH or NADPH acts as a hydrogen or electron donor and reduces a hydrogen or electron acceptor. GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes. GO:0042537 The chemical reactions and pathways involving benzene, C6H6, a volatile, very inflammable liquid, contained in the naphtha produced by the destructive distillation of coal, from which it is separated by fractional distillation, or any of its derivatives. GO:0042602 Catalysis of the reaction: reduced riboflavin + NADP+ = riboflavin + NADPH + 2 H+. GO:0006208 The chemical reactions and pathways resulting in the breakdown of pyrimidine nucleobases, 1,3-diazine, organic nitrogenous bases.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Unknown

Selected Druggability evidence

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 High
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6
  • 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:0016651 Catalysis of an oxidation-reduction (redox) reaction in which NADH or NADPH acts as a hydrogen or electron donor and reduces a hydrogen or electron acceptor.
  • GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.
  • GO:0042537 The chemical reactions and pathways involving benzene, C6H6, a volatile, very inflammable liquid, contained in the naphtha produced by the destructive distillation of coal, from which it is separated by fractional distillation, or any of its derivatives.
  • GO:0042602 Catalysis of the reaction: reduced riboflavin + NADP+ = riboflavin + NADPH + 2 H+.
  • GO:0006208 The chemical reactions and pathways resulting in the breakdown of pyrimidine nucleobases, 1,3-diazine, organic nitrogenous bases.

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records
Show feature table
Start End DB Term Name
16 164 SMART SM00903 Flavin_Reduct_2
16 164 InterPro IPR002563 Flavin reductase like domain
12 165 SUPERFAMILY SSF50475 FMN-binding split barrel
5 164 PANTHER PTHR30466 FLAVIN REDUCTASE
12 165 NCBIfam TIGR02296 4-hydroxyphenylacetate 3-monooxygenase, reductase component
12 165 InterPro IPR011982 4-hydroxyphenylacetate 3-monooxygenase, reductase component
2 165 Gene3D G3DSA:2.30.110.10 -
2 165 InterPro IPR012349 FMN-binding split barrel
2 165 FunFam G3DSA:2.30.110.10:FF:000023 Putative flavoprotein oxidoreductase
16 165 Pfam PF01613 Flavin reductase like domain
16 165 InterPro IPR002563 Flavin reductase like domain

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 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold HT085_RS00300
AlphaFold — — full sequence — Viewing
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 0.9

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 4.08 0.134
2 3.01 0.079
3 0.72 0.001

Ligand evidence

Ligands grouped by evidence source — prioritize those reported for this exact protein.

52 records

Structural evidence inferred from similar proteins. The UniProt column identifies the protein that carried the ligand in PDB.

Show only:
Ligand PDB structure UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
12P 2ecu Q5SJP7 546.7 Da LogP -0.85 TPSA 142.0 2 viol. ✓ Clean C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
1PG 2ecu Q5SJP7 252.3 Da LogP -0.31 TPSA 66.4 ✓ Ro5 ✓ Clean COCCOCCOCCOCCOCCO

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.