Protein profile
HT085_RS00090
GAF domain-containing protein
Genome: NZ_AP023069.1
Overview
Basic information about this protein and its source genome.
- Accession
- HT085_RS00090
- Gene
- WHOF_00016 ESCNG_30033 ytsP TUM19854C_00140 WHOF_00408 msrC
- Status
- annotated
- Amino acids
- 167
- Structure source
- AlphaFold
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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
2- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0033745 Catalysis of the reaction: [thioredoxin]-disulfide + L-methionine + H2O = L-methionine (R)-S-oxide + [thioredoxin]-dithiol.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 3 | 156 | SUPERFAMILY | SSF55781 | GAF domain-like |
| 5 | 148 | PANTHER | PTHR21021 | GAF/PUTATIVE CYTOSKELETAL PROTEIN |
| 1 | 167 | Gene3D | G3DSA:3.30.450.40 | - |
| 1 | 167 | InterPro | IPR029016 | GAF-like domain superfamily |
| 3 | 161 | FunFam | G3DSA:3.30.450.40:FF:000008 | GAF domain-containing proteins |
| 31 | 167 | SMART | SM00065 | gaf_1 |
| 31 | 167 | InterPro | IPR003018 | GAF domain |
| 36 | 154 | Pfam | PF13185 | GAF domain |
| 36 | 154 | InterPro | IPR003018 | GAF domain |
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...
Structural evidence
0 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
HT085_RS00090
|
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 |
|---|---|---|---|---|---|---|---|
| 2 | 0.838 | ||||||
| 1 | 0.484 |
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 | 11.5 | 0.531 |
Ligand evidence
Ligands grouped by evidence source — prioritize those reported for this exact protein.
Highest-confidence structural evidence: ligands co-crystallized with this exact protein in the Protein Data Bank.
No PDB structure with a co-crystallized ligand found for this exact protein.
Structural evidence inferred from similar proteins. The UniProt column identifies the protein that carried the ligand in PDB.
| Ligand | PDB structure | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| SME | 3ko6 | P36088 | 165.2 Da LogP -0.83 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
C[S@@](=O)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 |
|---|---|---|---|---|---|
| ZINC308411996 | 0.581 | 221.3 Da LogP 0.42 TPSA 69.4 | ✓ Ro5 | ✓ Clean |
C[S@@](=O)CC[C@H](N)C(=O)OC(C)(C)C
|
| ZINC308411998 | 0.581 | 221.3 Da LogP 0.42 TPSA 69.4 | ✓ Ro5 | ✓ Clean |
C[S@](=O)CC[C@H](N)C(=O)OC(C)(C)C
|
| ZINC5759012 | 0.581 | 207.3 Da LogP 0.34 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
CCCC[S@@](=O)CC[C@H](N)C(=O)O
|
| ZINC5759013 | 0.581 | 207.3 Da LogP 0.34 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
CCCC[S@](=O)CC[C@H](N)C(=O)O
|
| ZINC5759014 | 0.581 | 207.3 Da LogP 0.34 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
CCCC[S@@](=O)CC[C@@H](N)C(=O)O
|
| ZINC5759015 | 0.581 | 207.3 Da LogP 0.34 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
CCCC[S@](=O)CC[C@@H](N)C(=O)O
|
| ZINC3055005 | 0.520 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC3055007 | 0.520 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC3055010 | 0.520 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1555366 | 0.500 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1555367 | 0.500 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1555369 | 0.500 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720127 | 0.500 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1720128 | 0.500 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720130 | 0.500 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC4642766 | 0.500 | 201.2 Da LogP -0.78 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
C[S@@](=O)CC[C@@H](N)P(=O)(O)O
|
| ZINC4642767 | 0.500 | 201.2 Da LogP -0.78 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
C[S@](=O)CC[C@@H](N)P(=O)(O)O
|
| ZINC4899638 | 0.500 | 207.3 Da LogP -0.66 TPSA 83.5 | ✓ Ro5 | ✓ Clean |
CC(=O)N[C@@H](CC[S@](C)=O)C(=O)O
|
| ZINC4899639 | 0.500 | 207.3 Da LogP -0.66 TPSA 83.5 | ✓ Ro5 | ✓ Clean |
CC(=O)N[C@@H](CC[S@@](C)=O)C(=O)O
|
| ZINC5431484 | 0.500 | 207.3 Da LogP -0.66 TPSA 83.5 | ✓ Ro5 | ✓ Clean |
CC(=O)N[C@H](CC[S@](C)=O)C(=O)O
|
| ZINC5431485 | 0.500 | 207.3 Da LogP -0.66 TPSA 83.5 | ✓ Ro5 | ✓ Clean |
CC(=O)N[C@H](CC[S@@](C)=O)C(=O)O
|
| ZINC5519141 | 0.500 | 201.2 Da LogP -0.78 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
C[S@@](=O)CC[C@H](N)P(=O)(O)O
|
| ZINC5519143 | 0.500 | 201.2 Da LogP -0.78 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
C[S@](=O)CC[C@H](N)P(=O)(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.