Protein profile

HT085_RS00295

MarR family adhesin repressor NadR

Genome: NZ_AP023069.1

Gene: TUM19854C_00490 E8M63_11555 WHOF_00059 NGO_0058 farR WHOF_01986 marR1 ESCNG_350004 VT05_02083 hpcR NGK_0082 nadR ohrR Structure source: AlphaFold UniProt P0DPR8 UniProt Q5FAG4 UniProt A0A1D3GS94 UniProt B4RP04
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Amino acids 146
Annotations 4
Features 22
PDB binders 13

Overview

Basic information about this protein and its source genome.

Accession
HT085_RS00295
Assembly
Neisseria gonorrhoeae strain TUM19854 chromosome, complete genome
Gene
TUM19854C_00490 E8M63_11555 WHOF_00059 NGO_0058 farR WHOF_01986 marR1 ESCNG_350004 VT05_02083 hpcR NGK_0082 nadR ohrR
Status
annotated
Amino acids
146
Structure source
AlphaFold
GO
GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid). GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons. GO:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription. GO:0006950 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
Y
Localization
Cytoplasmic

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 Medium
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4
  • GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
  • GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons.
  • GO:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0006950 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).

Sequence Features

Domain/signature hits from InterPro and related databases.

22 records
Show feature table
Start End DB Term Name
130 146 Coils Coil Coil
27 127 SMART SM00347 marrlong4
27 127 InterPro IPR000835 MarR-type HTH domain
7 139 ProSiteProfiles PS50995 MarR-type HTH domain profile.
7 139 InterPro IPR000835 MarR-type HTH domain
34 92 Pfam PF01047 MarR family
34 92 InterPro IPR000835 MarR-type HTH domain
13 139 PANTHER PTHR33164 TRANSCRIPTIONAL REGULATOR, MARR FAMILY
13 139 InterPro IPR039422 Transcription regulators MarR/SlyA-like
68 83 PRINTS PR00598 Bacterial regulatory protein MarR family signature
68 83 InterPro IPR000835 MarR-type HTH domain
87 103 PRINTS PR00598 Bacterial regulatory protein MarR family signature
87 103 InterPro IPR000835 MarR-type HTH domain
66 100 ProSitePatterns PS01117 MarR-type HTH domain signature.
66 100 InterPro IPR023187 Transcriptional regulator MarR-type, conserved site
1 146 Gene3D G3DSA:1.10.10.10 -
1 146 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
4 135 FunFam G3DSA:1.10.10.10:FF:000301 Homoprotocatechuate degradation operon regulator HpaR
9 137 NCBIfam TIGR02337 homoprotocatechuate degradation operon regulator, HpaR
9 137 InterPro IPR012712 HTH-type transcriptional regulator HpaR/FarR
10 141 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
10 141 InterPro IPR036390 Winged helix DNA-binding domain superfamily

3D Structure

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

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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_RS00295
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 0.607
2 0.436

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 4.4 0.153

Ligand evidence

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

63 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
3IB 7kig C5CSP2 203.2 Da LogP 2.58 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CCCC(=O)O
4HP 5aip Q7DD70 152.1 Da LogP 1.02 TPSA 57.5 ✓ Ro5 ✓ Clean c1cc(ccc1CC(=O)O)O
BEZ 7kfs C5CSP2 122.1 Da LogP 1.38 TPSA 37.3 ✓ Ro5 ✓ Clean c1ccc(cc1)C(=O)O
CAQ 7kk0 C5CSP2 110.1 Da LogP 1.10 TPSA 40.5 ✓ Ro5 Alert c1ccc(c(c1)O)O
CFA 7kki C5CSP2 221.0 Da LogP 2.46 TPSA 46.5 ✓ Ro5 ✓ Clean c1cc(c(cc1Cl)Cl)OCC(=O)O
HID 7kkc C5CSP2 191.2 Da LogP 1.50 TPSA 73.3 ✓ Ro5 ✓ Clean c1cc2c(cc1O)c(c[nH]2)CC(=O)O
IAC 7kfo C5CSP2 175.2 Da LogP 1.79 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CC(=O)O
ICO 7kfq C5CSP2 161.2 Da LogP 1.87 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)C(=O)O
IOP 7kh3 C5CSP2 189.2 Da LogP 2.19 TPSA 53.1 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c[nH]2)CCC(=O)O
KAN 4em0 Q6GEG9 484.5 Da LogP -7.29 TPSA 282.6 2 viol. ✓ Clean C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@…
SAL 7kjl C5CSP2 138.1 Da LogP 1.09 TPSA 57.5 ✓ Ro5 ✓ Clean c1ccc(c(c1)C(=O)O)O
WCA 6c28 Q6N8V9 913.7 Da LogP 0.08 TPSA 383.9 3 viol. ✓ Clean CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([…
WOM 7kjq C5CSP2 241.5 Da LogP 2.32 TPSA 76.2 ✓ Ro5 ✓ Clean c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N

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.