Overview
Basic information about this protein and its source genome.
- Accession
- PA3020
- Gene
- PA3020
- Status
- annotated
- Amino acids
- 642
- Structure source
- Experimental + AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- Periplasmic
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.
Gene Ontology (GO)
2- GO:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria).
- GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 17 | 24 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 1 | 24 | SignalP_GRAM_NEGATIVE | SignalP-noTM | SignalP-noTM |
| 5 | 16 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 402 | 470 | Gene3D | G3DSA:1.10.1240.20 | Lytic transglycosylase, superhelical linker domain |
| 402 | 470 | InterPro | IPR037061 | Lytic transglycosylase, superhelical linker domain superfamily |
| 1 | 24 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 25 | 384 | Gene3D | G3DSA:1.25.20.10 | Bacterial muramidases |
| 25 | 642 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 26 | 475 | SUPERFAMILY | SSF48435 | Bacterial muramidases |
| 26 | 475 | InterPro | IPR008939 | Lytic transglycosylase, superhelical U-shaped |
| 404 | 470 | Pfam | PF14718 | Soluble lytic murein transglycosylase L domain |
| 404 | 470 | InterPro | IPR012289 | Lytic transglycosylase, superhelical linker |
| 1 | 21 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
| 478 | 636 | SUPERFAMILY | SSF53955 | Lysozyme-like |
| 478 | 636 | InterPro | IPR023346 | Lysozyme-like domain superfamily |
| 1 | 4 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 473 | 621 | CDD | cd13401 | Slt70-like |
| 4 | 630 | PANTHER | PTHR37423 | SOLUBLE LYTIC MUREIN TRANSGLYCOSYLASE-RELATED |
| 471 | 637 | Gene3D | G3DSA:1.10.530.10 | - |
| 1 | 24 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 485 | 596 | Pfam | PF01464 | Transglycosylase SLT domain |
| 485 | 596 | InterPro | IPR008258 | Transglycosylase SLT domain 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
7 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
PDB
5OHU
|
X-ray | 2.20 Å | A |
|
Viewing | |
|
PDB
6FC4
|
X-ray | 3.05 Å | A |
|
Loaded | |
|
PDB
6FCR
|
X-ray | 2.75 Å | A |
|
Loaded | |
|
PDB
6FCS
|
X-ray | 2.90 Å | A |
|
Loaded | |
|
PDB
6FCQ
|
X-ray | 3.10 Å | A |
|
Loaded | |
|
PDB
6FCU
|
X-ray | 3.20 Å | A |
|
Loaded | |
|
PDB
6FBT
|
X-ray | 2.50 Å | A |
|
Loaded | |
|
AlphaFold
PA3020
|
AlphaFold | — | — | full sequence | — | Loaded |
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 | 0.9 | ||||||
| 3 | 0.349 |
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 | 8.5 | 0.454 | ||||||
| 2 | 4.77 | 0.211 | ||||||
| 3 | 3.53 | 0.13 | ||||||
| 4 | 2.08 | 0.047 | ||||||
| 5 | 1.69 | 0.029 |
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 | 0.715 | ||||||
| 10 | 0.514 | ||||||
| 4 | 0.337 | ||||||
| 1 | 0.223 |
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 |
|---|---|---|---|---|---|
| BUL | 551.5 Da LogP -5.13 TPSA 267.3 | 3 viol. | ✓ Clean |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2…
|
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.
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 |
|---|---|---|---|---|---|
| ZINC1710230 | 1.000 | 207.3 Da LogP 0.80 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCNC1CCCCC1
|
| ZINC2004372 | 0.786 | 221.3 Da LogP 1.19 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCNC1CCCCC1
|
| ZINC38364153 | 0.786 | 235.3 Da LogP 1.58 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCCCNC1CCCCC1
|
| ZINC34074657 | 0.769 | 444.4 Da LogP -4.05 TPSA 221.2 | 2 viol. | ✓ Clean |
CC(=O)N[C@H]1[C@H](O[C@H]2C[C@@H](C(=O)O)N[C@@H…
|
| ZINC19367005 | 0.560 | 224.4 Da LogP 2.83 TPSA 24.1 | ✓ Ro5 | ✓ Clean |
C1CCC(NCCNC2CCCCC2)CC1
|
| ZINC26468763 | 0.559 | 243.3 Da LogP -1.35 TPSA 100.5 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCN[C@@H]1CCS(=O)(=O)C1
|
| ZINC26468770 | 0.559 | 243.3 Da LogP -1.35 TPSA 100.5 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)CCN[C@H]1CCS(=O)(=O)C1
|
| ZINC5188799 | 0.556 | 280.5 Da LogP 4.39 TPSA 24.1 | ✓ Ro5 | ✓ Clean |
C(CCCNC1CCCCC1)CCNC1CCCCC1
|
| ZINC2168583 | 0.529 | 237.3 Da LogP 0.16 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)C[C@@H](O)CNC1CCCCC1
|
| ZINC2168584 | 0.529 | 237.3 Da LogP 0.16 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)C[C@H](O)CNC1CCCCC1
|
| ZINC130127586 | 0.515 | 260.4 Da LogP 1.38 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=S(=O)(NCCNC1CCCCCC1)C1CC1
|
| ZINC78421079 | 0.515 | 210.3 Da LogP 1.43 TPSA 41.1 | ✓ Ro5 | ✓ Clean |
O=C(NCCNC1CCCCC1)C1CC1
|
| ZINC122239480 | 0.500 | 238.4 Da LogP 2.22 TPSA 41.1 | ✓ Ro5 | ✓ Clean |
O=C(NCCNC1CCCCCC1)C1CCC1
|
| ZINC165485 | 0.500 | 301.8 Da LogP 3.04 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
O=S(=O)(CCNC1CCCCC1)c1ccc(Cl)cc1
|
| ZINC38889906 | 0.500 | 226.4 Da LogP 3.21 TPSA 38.0 | ✓ Ro5 | ✓ Clean |
NCCNC1CCCCCCCCCCC1
|
| ZINC60934954 | 0.500 | 315.9 Da LogP 3.43 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
O=S(=O)(CCNC1CCCCCC1)c1ccc(Cl)cc1
|
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.