Overview
Basic information about this protein and its source genome.
- Accession
- KP13_00014
- Gene
- AHE47125.1 asnC
- Status
- annotated
- Amino acids
- 152
- Structure source
- AlphaFold + ColabFold
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
- Cytoplasmic
- ColabFold pLDDT
- 96.09
Selected Druggability evidence
AlphaFold / UniProt modelSelected 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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
4- GO:0043565 Binding to DNA of a specific nucleotide composition, e.g. GC-rich DNA binding, or with a specific sequence motif or type of DNA e.g. promotor binding or rDNA binding.
- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
- GO:0043200 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 an amino acid stimulus. An amino acid is a carboxylic acids containing one or more amino groups.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 58 | 141 | Gene3D | G3DSA:3.30.70.920 | - |
| 1 | 57 | Gene3D | G3DSA:1.10.10.10 | - |
| 1 | 57 | InterPro | IPR036388 | Winged helix-like DNA-binding domain superfamily |
| 7 | 56 | CDD | cd00090 | HTH_ARSR |
| 7 | 56 | InterPro | IPR011991 | ArsR-like helix-turn-helix domain |
| 68 | 152 | SUPERFAMILY | SSF54909 | Dimeric alpha+beta barrel |
| 68 | 152 | InterPro | IPR011008 | Dimeric alpha-beta barrel |
| 58 | 141 | FunFam | G3DSA:3.30.70.920:FF:000002 | Transcriptional regulator AsnC |
| 4 | 66 | SUPERFAMILY | SSF46785 | Winged helix DNA-binding domain |
| 4 | 66 | InterPro | IPR036390 | Winged helix DNA-binding domain superfamily |
| 1 | 57 | FunFam | G3DSA:1.10.10.10:FF:000078 | Transcriptional regulator AsnC |
| 6 | 67 | ProSiteProfiles | PS50956 | AsnC-type HTH domain profile. |
| 6 | 67 | InterPro | IPR000485 | AsnC-type HTH domain |
| 1 | 146 | PANTHER | PTHR43413 | TRANSCRIPTIONAL REGULATOR, ASNC FAMILY |
| 6 | 47 | Pfam | PF13404 | AsnC-type helix-turn-helix domain |
| 6 | 47 | InterPro | IPR000485 | AsnC-type HTH domain |
| 6 | 113 | SMART | SM00344 | asnc |
| 6 | 113 | InterPro | IPR019888 | Transcription regulator AsnC-like |
| 22 | 33 | PRINTS | PR00033 | AsnC bacterial regulatory protein HTH signature |
| 22 | 33 | InterPro | IPR000485 | AsnC-type HTH domain |
| 33 | 52 | PRINTS | PR00033 | AsnC bacterial regulatory protein HTH signature |
| 33 | 52 | InterPro | IPR000485 | AsnC-type HTH domain |
| 6 | 22 | PRINTS | PR00033 | AsnC bacterial regulatory protein HTH signature |
| 6 | 22 | InterPro | IPR000485 | AsnC-type HTH domain |
| 76 | 143 | Pfam | PF01037 | Lrp/AsnC ligand binding domain |
| 76 | 143 | InterPro | IPR019887 | Transcription regulator AsnC/Lrp, ligand binding domain |
3D Structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.
No pockets are loaded yet for the displayed AlphaFold model AF_A0A0H3GG41 structure. Run experimental pocket backfill to show FPocket/P2Rank overlays on this structure.
Loading 3D structure...
Structural evidence
0 + 2Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
AF_A0A0H3GG41
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_00014
|
ColabFold | — | — | full sequence | — | Loaded |
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.
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 |
|---|---|---|---|---|---|---|
| MSE | O73983 | 196.1 Da LogP -0.04 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
C[Se]CC[C@@H](C(=O)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 |
|---|---|---|---|---|---|
| ZINC2390999 | 0.655 | 275.3 Da LogP -1.99 TPSA 172.8 | ✓ Ro5 | ✓ Clean |
NC(=O)CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1674993 | 0.640 | 296.4 Da LogP 0.06 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCSCCSCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1674994 | 0.640 | 296.4 Da LogP 0.06 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCSCCSCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1674996 | 0.640 | 296.4 Da LogP 0.06 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCSCCSCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1529407 | 0.615 | 222.3 Da LogP -1.07 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCSC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1532680 | 0.615 | 222.3 Da LogP -1.07 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1708207 | 0.615 | 222.3 Da LogP -1.07 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1708208 | 0.615 | 222.3 Da LogP -1.07 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1605257 | 0.613 | 280.4 Da LogP 0.39 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)O
|
| ZINC1605258 | 0.613 | 280.4 Da LogP 0.39 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](NC(=O)[C@H](N)CCSC)C(=O)O
|
| ZINC1605259 | 0.613 | 280.4 Da LogP 0.39 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@H](CCSC)C(=O)O
|
| ZINC1605260 | 0.613 | 280.4 Da LogP 0.39 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@@H](N)C(=O)N[C@H](CCSC)C(=O)O
|
| ZINC2384801 | 0.613 | 220.3 Da LogP -0.34 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)O
|
| ZINC4556875 | 0.613 | 220.3 Da LogP -0.34 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@@H](N)C(=O)N[C@@H](C)C(=O)O
|
| ZINC4556876 | 0.613 | 220.3 Da LogP -0.34 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@@H](N)C(=O)N[C@H](C)C(=O)O
|
| ZINC4556877 | 0.613 | 220.3 Da LogP -0.34 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@H](C)C(=O)O
|
| 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
|
| ZINC1569727 | 0.593 | 202.3 Da LogP -0.05 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)O
|
| ZINC1569728 | 0.593 | 202.3 Da LogP -0.05 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H](N)C(=O)N[C@@H](C)C(=O)O
|
| ZINC1569729 | 0.593 | 202.3 Da LogP -0.05 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](N)C(=O)N[C@H](C)C(=O)O
|
| ZINC1569730 | 0.593 | 202.3 Da LogP -0.05 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)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
|
| ZINC2391099 | 0.586 | 274.3 Da LogP -2.59 TPSA 178.6 | ✓ Ro5 | ✓ Clean |
NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
|
| ZINC2522597 | 0.586 | 246.3 Da LogP -0.60 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)O
|
| 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
|
| ZINC1569523 | 0.581 | 206.3 Da LogP -0.73 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@@H](N)C(=O)NCC(=O)O
|
| ZINC1593212 | 0.581 | 206.3 Da LogP -0.73 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)NCC(=O)O
|
| ZINC2384813 | 0.576 | 236.3 Da LogP -1.37 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O
|
| ZINC2384835 | 0.576 | 264.3 Da LogP -0.89 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O
|
| ZINC2390943 | 0.576 | 248.3 Da LogP 0.29 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C
|
| ZINC4557150 | 0.576 | 236.3 Da LogP -1.37 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@H](CO)C(=O)O
|
| ZINC4899465 | 0.576 | 411.6 Da LogP 0.63 TPSA 121.5 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC…
|
| ZINC64219373 | 0.576 | 411.6 Da LogP 0.63 TPSA 121.5 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CCSC)…
|
| ZINC1532219 | 0.571 | 244.3 Da LogP 0.98 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O
|
| ZINC1532220 | 0.571 | 244.3 Da LogP 0.98 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)O
|
| ZINC1532221 | 0.571 | 244.3 Da LogP 0.98 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)O
|
| ZINC1532222 | 0.571 | 244.3 Da LogP 0.98 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)O
|
| ZINC11755051 | 0.567 | 204.3 Da LogP 0.94 TPSA 46.3 | ✓ Ro5 | ✓ Clean |
CCN(CC)C(=O)[C@@H](N)CCSC
|
| 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
|
| ZINC57358674 | 0.567 | 205.3 Da LogP 1.41 TPSA 52.3 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)OC(C)(C)C
|
| ZINC57933694 | 0.567 | 205.3 Da LogP 1.41 TPSA 52.3 | ✓ Ro5 | ✓ Clean |
CSCC[C@@H](N)C(=O)OC(C)(C)C
|
| ZINC62725402 | 0.567 | 204.3 Da LogP 0.94 TPSA 46.3 | ✓ Ro5 | ✓ Clean |
CCN(CC)C(=O)[C@H](N)CCSC
|
| ZINC2522690 | 0.563 | 220.3 Da LogP -0.34 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)NCCC(=O)O
|
| ZINC1581634 | 0.552 | 203.2 Da LogP -2.22 TPSA 135.5 | ✓ Ro5 | ✓ Clean |
NC(=O)CC[C@H](N)C(=O)NCC(=O)O
|
| ZINC5500823 | 0.552 | 203.2 Da LogP -2.22 TPSA 135.5 | ✓ Ro5 | ✓ Clean |
NC(=O)CC[C@@H](N)C(=O)NCC(=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.