Overview
Basic information about this protein and its source genome.
- Accession
- PA1163
- Gene
- PA1163 ndvB
- Status
- annotated
- Amino acids
- 869
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- 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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
6- 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:0016758 Catalysis of the transfer of a hexosyl group from one compound (donor) to another (acceptor).
- GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond.
- GO:0006075 The chemical reactions and pathways resulting in the formation of (1->3)-beta-D-glucans, compounds composed of glucose residues linked by (1->3)-beta-D-glucosidic bonds.
- GO:0030244 The chemical reactions and pathways resulting in the formation of cellulose, a linear beta1-4 glucan of molecular mass 50-400 kDa with the pyranose units in the -4C1 conformation.
- GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 684 | 706 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 312 | 331 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 362 | 366 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 39 | 302 | SUPERFAMILY | SSF51445 | (Trans)glycosidases |
| 39 | 302 | InterPro | IPR017853 | Glycoside hydrolase superfamily |
| 412 | 633 | FunFam | G3DSA:3.90.550.10:FF:000164 | Beta-(1-3)-glucosyl transferase |
| 405 | 662 | SUPERFAMILY | SSF53448 | Nucleotide-diphospho-sugar transferases |
| 405 | 662 | InterPro | IPR029044 | Nucleotide-diphospho-sugar transferases |
| 21 | 25 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 718 | 740 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 707 | 717 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 421 | 649 | Pfam | PF13641 | Glycosyltransferase like family 2 |
| 775 | 802 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 718 | 740 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 367 | 391 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 26 | 311 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 344 | 361 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 827 | 850 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 827 | 849 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 333 | 343 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 752 | 774 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 25 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 821 | 826 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 851 | 869 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 741 | 751 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 392 | 683 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 752 | 774 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 344 | 361 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 803 | 820 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 412 | 633 | Gene3D | G3DSA:3.90.550.10 | Spore Coat Polysaccharide Biosynthesis Protein SpsA; Chain A |
| 412 | 633 | InterPro | IPR029044 | Nucleotide-diphospho-sugar transferases |
| 376 | 398 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 223 | 236 | ProSitePatterns | PS00587 | Glycosyl hydrolases family 17 signature. |
| 223 | 236 | InterPro | IPR000490 | Glycoside hydrolase family 17 |
| 10 | 20 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 681 | 703 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 45 | 849 | PANTHER | PTHR43867 | CELLULOSE SYNTHASE CATALYTIC SUBUNIT A [UDP-FORMING] |
| 196 | 303 | Gene3D | G3DSA:3.20.20.80 | Glycosidases |
| 1 | 9 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 312 | 332 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 7 | 26 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 803 | 822 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
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
PA1163
|
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 | 0.854 |
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 |
|---|---|---|---|---|---|---|
| GDD | A3MTD6 | 605.3 Da LogP -4.63 TPSA 331.7 | 3 viol. | ✓ Clean |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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 |
|---|---|---|---|---|---|
| ZINC104869865 | 0.761 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O…
|
| ZINC12504289 | 0.761 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC34541308 | 0.761 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC35000839 | 0.761 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC45284491 | 0.761 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC80639694 | 0.761 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC8215481 | 0.761 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC12501413 | 0.701 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC12958448 | 0.701 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC1532555 | 0.701 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC16546189 | 0.701 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC2159505 | 0.701 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3073318 | 0.701 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3869963 | 0.701 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3869965 | 0.701 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O…
|
| ZINC9334496 | 0.701 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC1532637 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c…
|
| ZINC1550030 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c…
|
| ZINC1570863 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(…
|
| ZINC1698205 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c…
|
| ZINC2020098 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(…
|
| ZINC3869967 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c…
|
| ZINC3869968 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)…
|
| ZINC3869969 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)…
|
| ZINC3869970 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O…
|
| ZINC5605239 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c…
|
| ZINC6119283 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(…
|
| ZINC6585367 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)…
|
| ZINC8613125 | 0.672 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c…
|
| ZINC100727895 | 0.662 | 347.2 Da LogP -2.50 TPSA 196.8 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2P(=…
|
| ZINC17610743 | 0.662 | 347.2 Da LogP -2.50 TPSA 196.8 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2P(…
|
| ZINC12501360 | 0.648 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2OP…
|
| ZINC12503440 | 0.634 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)…
|
| ZINC1530370 | 0.634 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](OP(=O)(O)O)[…
|
| ZINC28631009 | 0.634 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](OP(=O)(O)O)[…
|
| ZINC3872740 | 0.634 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O)…
|
| ZINC3872741 | 0.634 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O…
|
| ZINC3872742 | 0.634 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O)…
|
| ZINC3872743 | 0.634 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O…
|
| ZINC71774763 | 0.618 | 432.3 Da LogP -2.23 TPSA 198.3 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)N3CCOCC3…
|
| ZINC4743771 | 0.597 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc…
|
| ZINC4743772 | 0.597 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)n…
|
| ZINC4743774 | 0.597 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc…
|
| ZINC4743775 | 0.597 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)n…
|
| ZINC106042635 | 0.595 | 341.3 Da LogP -2.02 TPSA 157.7 | ✓ Ro5 | ✓ Clean |
COCCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=…
|
| ZINC230402607 | 0.595 | 341.3 Da LogP -2.02 TPSA 157.7 | ✓ Ro5 | ✓ Clean |
COCCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(…
|
| ZINC230402611 | 0.595 | 341.3 Da LogP -2.02 TPSA 157.7 | ✓ Ro5 | ✓ Clean |
COCCO[C@@H]1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@…
|
| ZINC2583384 | 0.595 | 341.3 Da LogP -2.02 TPSA 157.7 | ✓ Ro5 | ✓ Clean |
COCCO[C@H]1[C@@H](O)[C@H](CO)O[C@@H]1n1cnc2c(=O…
|
| ZINC85475068 | 0.595 | 341.3 Da LogP -2.02 TPSA 157.7 | ✓ Ro5 | ✓ Clean |
COCCO[C@H]1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@H…
|
| ZINC90556174 | 0.595 | 341.3 Da LogP -2.02 TPSA 157.7 | ✓ Ro5 | ✓ Clean |
COCCO[C@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(=…
|
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.