Protein profile
PA4412
undecaprenyldiphospho-muramoylpentapeptide beta-N- acetylglucosaminyltransferase
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA4412
- Gene
- PA4412 murG
- Status
- annotated
- Amino acids
- 357
- Structure source
- Experimental + AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- 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.
Sequence
Primary amino-acid sequence viewer.
MKGNVLIMAGGTGGHVFPALACAREFQARGYAVHWLGTPRGIENDLVPKAGLPLHLIQVSGLRGKGLKSLVKAPLELLKSLFQALRVIRQLRPVCVLGLGGYVTGPGGLAARLNGVPLVIHEQNAVAGTANRSLAPIARRVCEAFPDTFPASDKRLTTGNPVRGELFLDAHARAPLTGRRVNLLVLGGSLGAEPLNKLLPEALAQVPLEIRPAIRHQAGRQHAEITAERYRTVAVEADVAPFISDMAAAYAWADLVICRAGALTVSELTAAGLPAFLVPLPHAIDDHQTRNAEFLVRSGAGRLLPQKSTGAAELAAQLSEVLMHPETLRSMADQARSLAKPEATRTVVDACLEVARG
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
10- 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:0051991 Catalysis of the reaction: di-trans-octa-cis-undecaprenyl diphospho-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine + UDP-N-acetyl-alpha-D-glucosamine = di-trans-octa-cis-undecaprenyl diphospho-[N-acetyl-alpha-D-glucosaminyl-(1->4)]-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine + H+ + UDP.
- GO:0050511 Catalysis of the reaction: Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate + UDP-N-acetyl-alpha-D-glucosamine = beta-D-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamm-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate + H+ + UDP.
- GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
- GO:0051301 The process resulting in division and partitioning of components of a cell to form more cells; may or may not be accompanied by the physical separation of a cell into distinct, individually membrane-bounded daughter cells.
- GO:0071555 A process that results in the assembly, arrangement of constituent parts, or disassembly of the cell wall, the rigid or semi-rigid envelope lying outside the cell membrane of plant, fungal and most prokaryotic cells, maintaining their shape and protecting them from osmotic lysis.
- GO:0009252 The chemical reactions and pathways resulting in the formation of peptidoglycans, any of a class of glycoconjugates found in bacterial cell walls and consisting of long glycan strands of alternating residues of beta-(1,4) linked N-acetylglucosamine and N-acetylmuramic acid, cross-linked by short peptides.
- GO:0008360 Any process that modulates the surface configuration of a cell.
- GO:0016758 Catalysis of the transfer of a hexosyl group from one compound (donor) to another (acceptor).
- GO:0030259 OBSOLETE. Covalent attachment of a glycosyl residue to a lipid molecule.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 5 | 355 | Hamap | MF_00033 | UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase [murG]. |
| 5 | 355 | InterPro | IPR006009 | N-acetylglucosaminyltransferase, MurG |
| 4 | 350 | NCBIfam | TIGR01133 | undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase |
| 4 | 350 | InterPro | IPR006009 | N-acetylglucosaminyltransferase, MurG |
| 6 | 345 | Gene3D | G3DSA:3.40.50.2000 | Glycogen Phosphorylase B; |
| 4 | 355 | SUPERFAMILY | SSF53756 | UDP-Glycosyltransferase/glycogen phosphorylase |
| 5 | 349 | CDD | cd03785 | GT28_MurG |
| 5 | 141 | Pfam | PF03033 | Glycosyltransferase family 28 N-terminal domain |
| 5 | 141 | InterPro | IPR004276 | Glycosyltransferase family 28, N-terminal domain |
| 183 | 338 | Pfam | PF04101 | Glycosyltransferase family 28 C-terminal domain |
| 183 | 338 | InterPro | IPR007235 | Glycosyl transferase, family 28, C-terminal |
| 162 | 339 | Gene3D | G3DSA:3.40.50.2000 | Glycogen Phosphorylase B; |
| 1 | 355 | PANTHER | PTHR21015 | UDP-N-ACETYLGLUCOSAMINE--N-ACETYLMURAMYL-(PENTAPEPTIDE) PYROPHOSPHORYL-UNDECAPRENOL N-ACETYLGLUCOSAMINE TRANSFERASE 1 |
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
1 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
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 | 0.685 | ||||||
| 8 | 0.562 | ||||||
| 4 | 0.455 | ||||||
| 5 | 0.392 |
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 | 36.41 | 0.955 | ||||||
| 2 | 4.75 | 0.209 | ||||||
| 3 | 1.5 | 0.021 |
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 | 0.754 |
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.
| Ligand | Source crystal | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| UD1 | 607.4 Da LogP -4.65 TPSA 305.9 | 3 viol. | ✓ Clean |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@]…
|
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.
No PDB ligands found through similar proteins.
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 |
|---|---|---|---|---|---|
| ZINC12959005 | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)…
|
| ZINC12959016 | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@](=O)(O)O[P@](=O)(O…
|
| ZINC13548378 | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC25726233 | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)…
|
| ZINC3861755 | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC3875255 | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC3875256 | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)…
|
| ZINC3875257 | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC3875258 | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)…
|
| ZINC88466482 | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC35636069 | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[…
|
| ZINC40655887 | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[…
|
| ZINC40655889 | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC44460318 | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC4490939 | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC8585026 | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC8585028 | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O…
|
| ZINC8585030 | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC8585032 | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O…
|
| ZINC102211562 | 0.611 | 490.3 Da LogP -1.89 TPSA 206.8 | 1 viol. | ✓ Clean |
C[N+](C)(C)CCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1…
|
| ZINC110347779 | 0.611 | 490.3 Da LogP -1.89 TPSA 206.8 | 1 viol. | ✓ Clean |
C[N+](C)(C)CCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]…
|
| ZINC110347782 | 0.611 | 490.3 Da LogP -1.89 TPSA 206.8 | 1 viol. | ✓ Clean |
C[N+](C)(C)CCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]…
|
| ZINC97976147 | 0.611 | 490.3 Da LogP -1.89 TPSA 206.8 | 1 viol. | ✓ Clean |
C[N+](C)(C)CCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]…
|
| ZINC12503831 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2…
|
| ZINC12503833 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]…
|
| ZINC13512000 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]…
|
| ZINC1532538 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H…
|
| ZINC2026984 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]…
|
| ZINC2123545 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H…
|
| ZINC2606131 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@…
|
| ZINC36377965 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H…
|
| ZINC3870257 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H…
|
| ZINC3870258 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@…
|
| ZINC3870259 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@…
|
| ZINC3870260 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@…
|
| ZINC9235501 | 0.567 | 324.2 Da LogP -2.73 TPSA 171.3 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H…
|
| ZINC218568202 | 0.560 | 498.2 Da LogP -1.85 TPSA 253.4 | 2 viol. | ✓ Clean |
CO[C@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](CO[P@@…
|
| ZINC40576927 | 0.560 | 498.2 Da LogP -1.85 TPSA 253.4 | 2 viol. | ✓ Clean |
CO[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O…
|
| ZINC108477652 | 0.554 | 486.1 Da LogP -1.52 TPSA 244.1 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)…
|
| ZINC145753022 | 0.554 | 483.2 Da LogP -2.53 TPSA 270.2 | 2 viol. | ✓ Clean |
N[C@@H]1[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC220143873 | 0.554 | 486.1 Da LogP -1.52 TPSA 244.1 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC31519946 | 0.554 | 486.1 Da LogP -1.52 TPSA 244.1 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)…
|
| ZINC78695900 | 0.554 | 483.2 Da LogP -2.53 TPSA 270.2 | 2 viol. | ✓ Clean |
N[C@@H]1[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC90614026 | 0.554 | 486.1 Da LogP -1.52 TPSA 244.1 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC207686398 | 0.534 | 438.2 Da LogP -1.91 TPSA 208.6 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)C(F)(F)P(=O)…
|
| ZINC2565479 | 0.531 | 244.2 Da LogP -2.85 TPSA 124.8 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O…
|
| ZINC2583633 | 0.531 | 244.2 Da LogP -2.85 TPSA 124.8 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)…
|
| ZINC3870262 | 0.531 | 244.2 Da LogP -2.85 TPSA 124.8 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O…
|
| ZINC3870263 | 0.531 | 244.2 Da LogP -2.85 TPSA 124.8 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O…
|
| ZINC6524831 | 0.531 | 244.2 Da LogP -2.85 TPSA 124.8 | ✓ Ro5 | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=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.