Overview
Basic information about this protein and its source genome.
- Accession
- PA5012
- Gene
- DT376_06350 GNQ48_04220 waaF CAZ10_01410 rfaF L4V69_34350 PAERUG_P19_London_7_VIM_2_05_10_03072 IPC1295_08020 PA5012
- Status
- annotated
- Amino acids
- 345
- 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.
MRILIVGPSWVGDMVMAQTLFQCLRQRHPECVIDVLAPEWSRPILERMPEVRQALSFPLGHGVMDVATRRRIGRGLRGQYEQAILLPNSLKSALVPWFAGIPKRTGWRGEMRYGLLNDIRKLDKQRYPLMIERFMALAFEPGVELPKPYPQPRLRIDDGSRQAALDKFALSLDRPVLALCPGAEFGEAKRWPAEHYAAVAEAKIRAGWQVWLFGSKNDHPGGEEIRQRLIPGLREESFNLAGETSLAEAIDLMSCAGAVVSNDSGLMHVAAALDRPLVGVYGSTSPQFTPPLADRVEIVRLGLECSPCFERTCRFGHYNCLRELPPGLVLQALERLVGDPAEVAG
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
6- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0008713 Catalysis of the reaction: heptosyl-KDO2-lipid A + ADP-L-glycero-beta-D-manno-heptose = heptosyl2-KDO2-lipid A + ADP + H+.
- GO:0071968 Catalysis of the reaction: galactosyl-glucosyl3-heptosyl3-KDO2-lipid A-bisphosphate + ADP-L-glycero-beta-D-manno-heptose = lipid A-core + ADP + H+.
- GO:0009244 The chemical reactions and pathways resulting in the formation of the core region of bacterial lipopolysaccharides, which contains ten saccharide residues.
- GO:0016757 Catalysis of the transfer of a glycosyl group from one compound (donor) to another (acceptor).
- GO:0009103 The chemical reactions and pathways resulting in the formation of lipopolysaccharides, any of a group of related, structurally complex components of the outer membrane of Gram-negative bacteria.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 158 | 338 | Gene3D | G3DSA:3.40.50.2000 | Glycogen Phosphorylase B; |
| 159 | 338 | FunFam | G3DSA:3.40.50.2000:FF:000023 | ADP-heptose--LPS heptosyltransferase II |
| 1 | 17 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 3 | 12 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 1 | 337 | PANTHER | PTHR30160 | TETRAACYLDISACCHARIDE 4'-KINASE-RELATED |
| 2 | 335 | CDD | cd03789 | GT9_LPS_heptosyltransferase |
| 2 | 335 | InterPro | IPR002201 | Glycosyl transferase, family 9 |
| 13 | 17 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 18 | 345 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 69 | 318 | Pfam | PF01075 | Glycosyltransferase family 9 (heptosyltransferase) |
| 69 | 318 | InterPro | IPR002201 | Glycosyl transferase, family 9 |
| 2 | 337 | NCBIfam | TIGR02195 | lipopolysaccharide heptosyltransferase II |
| 2 | 337 | InterPro | IPR011910 | ADP-heptose--LPS heptosyltransferase 2 |
| 2 | 147 | FunFam | G3DSA:3.40.50.2000:FF:000022 | ADP-heptose--LPS heptosyltransferase II |
| 1 | 338 | SUPERFAMILY | SSF53756 | UDP-Glycosyltransferase/glycogen phosphorylase |
| 2 | 145 | Gene3D | G3DSA:3.40.50.2000 | Glycogen Phosphorylase B; |
| 1 | 2 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
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
PA5012
|
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 | 0.7 |
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.
Structural ligand evidence is available for this target.
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 |
|---|---|---|---|---|---|---|
| AFH | P24173 | 621.4 Da LogP -3.58 TPSA 311.7 | 3 viol. | ✓ Clean |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
|
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 |
|---|---|---|---|---|---|
| ZINC12360002 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC12360703 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC12503599 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC16546165 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OP(=O)(…
|
| ZINC31977053 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC4806433 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC53683898 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC8586019 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC8586020 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC8586021 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC8586022 | 0.671 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC31475423 | 0.658 | 434.3 Da LogP -2.99 TPSA 238.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)OC(=O)…
|
| ZINC4522542 | 0.618 | 297.3 Da LogP -2.62 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H]([C@H](O)CO)[C@@H](O…
|
| ZINC4522544 | 0.618 | 297.3 Da LogP -2.62 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H](O)CO)[C@@H](…
|
| ZINC4522545 | 0.618 | 297.3 Da LogP -2.62 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H]([C@H](O)CO)[C@@H](O…
|
| ZINC4522546 | 0.618 | 297.3 Da LogP -2.62 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H](O)CO)[C@@H](…
|
| ZINC13518964 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…
|
| ZINC1532515 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…
|
| ZINC1571045 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…
|
| ZINC1842158 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…
|
| ZINC2046931 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…
|
| ZINC2126310 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3201891 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…
|
| ZINC3201893 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3830180 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3860156 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3977897 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O…
|
| ZINC4806442 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…
|
| ZINC8613167 | 0.614 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…
|
| ZINC31516918 | 0.610 | 446.4 Da LogP -1.33 TPSA 218.2 | 1 viol. | ✓ Clean |
CC(C)[C@H](N)C(=O)O[P@](=O)(O)OC[C@H]1O[C@@H](n…
|
| ZINC12503850 | 0.608 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)…
|
| ZINC141161066 | 0.608 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)…
|
| ZINC141163786 | 0.608 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)…
|
| ZINC4228246 | 0.608 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OS(=O…
|
| ZINC4096224 | 0.606 | 346.2 Da LogP -1.90 TPSA 191.9 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](N)(=O)O)[C@@…
|
| ZINC105372833 | 0.592 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@H](O…
|
| ZINC105372837 | 0.592 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@H](O…
|
| ZINC17107643 | 0.592 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@@H](…
|
| ZINC204538551 | 0.592 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@@H](…
|
| ZINC5615251 | 0.589 | 375.3 Da LogP -0.55 TPSA 164.1 | 1 viol. | ✓ Clean |
COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@…
|
| ZINC5615253 | 0.589 | 375.3 Da LogP -0.55 TPSA 164.1 | 1 viol. | ✓ Clean |
COP(=O)(OC)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C…
|
| ZINC5615258 | 0.589 | 375.3 Da LogP -0.55 TPSA 164.1 | 1 viol. | ✓ Clean |
COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@…
|
| ZINC5615263 | 0.589 | 375.3 Da LogP -0.55 TPSA 164.1 | 1 viol. | ✓ Clean |
COP(=O)(OC)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C…
|
| ZINC105469665 | 0.581 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)CP(=O…
|
| ZINC13527614 | 0.581 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)…
|
| ZINC219330894 | 0.581 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)…
|
| ZINC3873852 | 0.581 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)CP(=O)…
|
| ZINC3873853 | 0.581 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)(O)CP(=O…
|
| ZINC3873854 | 0.581 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)CP(=O)…
|
| ZINC3873855 | 0.581 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)(O)CP(=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.