Amino acids
430
Annotations
2
Features
44
PDB binders
4
Druggability
0.604
Overview
Basic information about this protein and its source genome.
- Accession
- PA3748
- Gene
- PA3748
- Status
- annotated
- Amino acids
- 430
- Structure source
- AlphaFold
GO
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
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.
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 26.316
- Human E-value
- 3.65e-07
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- Localization
- CytoplasmicMembrane
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
0.604
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
2 GO
Gene Ontology (GO)
2- GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
- 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.
Sequence Features
Domain/signature hits from InterPro and related databases.
44 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 341 | 415 | Gene3D | G3DSA:3.30.465.10 | - |
| 341 | 415 | InterPro | IPR016169 | FAD-binding, type PCMH, subdomain 2 |
| 124 | 146 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 213 | 262 | SMART | SM00116 | cbs_1 |
| 213 | 262 | InterPro | IPR000644 | CBS domain |
| 277 | 325 | SMART | SM00116 | cbs_1 |
| 277 | 325 | InterPro | IPR000644 | CBS domain |
| 89 | 111 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 92 | 112 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 337 | 418 | SUPERFAMILY | SSF56176 | FAD-binding/transporter-associated domain-like |
| 337 | 418 | InterPro | IPR036318 | FAD-binding, type PCMH-like superfamily |
| 10 | 32 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 203 | 322 | CDD | cd04590 | CBS_pair_CorC_HlyC_assoc |
| 203 | 322 | InterPro | IPR044751 | Ion transporter-like, CBS domain |
| 340 | 418 | SMART | SM01091 | CorC_HlyC_2 |
| 340 | 418 | InterPro | IPR005170 | Transporter-associated domain |
| 341 | 414 | Pfam | PF03471 | Transporter associated domain |
| 341 | 414 | InterPro | IPR005170 | Transporter-associated domain |
| 186 | 340 | Gene3D | G3DSA:3.10.580.10 | - |
| 186 | 340 | InterPro | IPR046342 | CBS domain superfamily |
| 87 | 91 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 147 | 430 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 12 | 166 | Pfam | PF01595 | Cyclin M transmembrane N-terminal domain |
| 12 | 166 | InterPro | IPR002550 | CNNM, transmembrane domain |
| 338 | 415 | FunFam | G3DSA:3.30.465.10:FF:000010 | DUF21 domain-containing protein |
| 67 | 86 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 2 | 192 | ProSiteProfiles | PS51846 | CNNM transmembrane domain profile. |
| 2 | 192 | InterPro | IPR002550 | CNNM, transmembrane domain |
| 113 | 123 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 271 | 331 | ProSiteProfiles | PS51371 | CBS domain profile. |
| 271 | 331 | InterPro | IPR000644 | CBS domain |
| 66 | 85 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 5 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 208 | 269 | ProSiteProfiles | PS51371 | CBS domain profile. |
| 208 | 269 | InterPro | IPR000644 | CBS domain |
| 6 | 33 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 192 | 328 | SUPERFAMILY | SSF54631 | CBS-domain pair |
| 192 | 328 | InterPro | IPR046342 | CBS domain superfamily |
| 11 | 415 | PANTHER | PTHR22777 | HEMOLYSIN-RELATED |
| 124 | 146 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 34 | 66 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 277 | 325 | Pfam | PF00571 | CBS domain |
| 216 | 261 | Pfam | PF00571 | CBS domain |
| 216 | 261 | InterPro | IPR000644 | CBS 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...
Legend
High
Medium
Low
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
PA3748
|
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 |
|---|---|---|---|---|---|---|---|
| 11 | 0.604 | ||||||
| 5 | 0.602 | ||||||
| 3 | 0.454 | ||||||
| 17 | 0.263 |
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.
54 records
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 |
|---|---|---|---|---|---|---|
| ADN | Q9K0P8 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
|
|
| FLC | Q32NY4 | 189.1 Da LogP -5.25 TPSA 140.6 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
|
|
| FX6 | A0A109QFA5 | 253.3 Da LogP 0.89 TPSA 117.8 | ✓ Ro5 | ✓ Clean |
CC[C@@H](C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N
|
|
| OLC | A0A109QFA5 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O
|
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 |
|---|---|---|---|---|---|
| ZINC1501016272 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO
|
| ZINC1501016273 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC1501016315 | 1.000 | 314.5 Da LogP 3.75 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC1501016316 | 1.000 | 314.5 Da LogP 3.75 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO
|
| ZINC2038077522 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC2038077523 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC2047403 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O
|
| ZINC2047673 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
|
| ZINC2169830 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
|
| ZINC221534416 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](O)CO
|
| ZINC281022 | 1.000 | 253.3 Da LogP 0.89 TPSA 117.8 | ✓ Ro5 | ✓ Clean |
CC[C@H](Sc1nc2c(N)ncnc2[nH]1)C(=O)O
|
| ZINC281025 | 1.000 | 253.3 Da LogP 0.89 TPSA 117.8 | ✓ Ro5 | ✓ Clean |
CC[C@@H](Sc1nc2c(N)ncnc2[nH]1)C(=O)O
|
| ZINC3201876 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
|
| ZINC3201878 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]…
|
| ZINC32840893 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840894 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840895 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840896 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840901 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840902 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840903 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840904 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC3830178 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O
|
| ZINC3830179 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O
|
| ZINC3978047 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O
|
| ZINC3978048 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@H]1O
|
| ZINC3978049 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O
|
| ZINC4048240 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O
|
| ZINC725433050 | 1.000 | 342.5 Da LogP 4.53 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC725433052 | 1.000 | 342.5 Da LogP 4.53 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO
|
| ZINC8580514 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O
|
| ZINC895113 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
|
| ZINC896706 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O
|
| ZINC970363 | 1.000 | 267.2 Da LogP -1.98 TPSA 139.5 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
|
| ZINC98208566 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](O)CO
|
| ZINC4188096 | 0.974 | 297.3 Da LogP -2.62 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](…
|
| ZINC4188103 | 0.974 | 297.3 Da LogP -2.62 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]…
|
| ZINC4188112 | 0.974 | 297.3 Da LogP -2.62 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](…
|
| ZINC4188116 | 0.974 | 297.3 Da LogP -2.62 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]…
|
| ZINC32840885 | 0.943 | 300.4 Da LogP 3.36 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC2053467566 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC=CCC=CCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC2053467567 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC29045599 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC4557100 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC4557101 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC5819989 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC5819990 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC85425978 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC29045446 | 0.892 | 352.5 Da LogP 4.47 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](O)CO
|
| ZINC57675642 | 0.837 | 266.3 Da LogP -2.01 TPSA 145.3 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N
|
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.