Protein profile
PA3666
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA3666
- Gene
- dapD PA3666
- Status
- annotated
- Amino acids
- 344
- 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
- Unknown
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.
MSQSLFSLAFGVGTQNRQEAWLEVFYALPLLKPSSEIVAAVAPILGYAAGNQALTFTSQQAYQLADALKGIDAAQSALLSRLAESQKPLVATLLAEDAAPSSTAEAYLKLHLLSHRLVKPHAVNLSGIFPLLPNVAWTNIGAVDLAELAELQLEARLKGKLLEVFSVDKFPKMTDYVVPAGVRIADTARVRLGAYIGEGTTVMHEGFVNFNAGTEGPGMIEGRVSAGVFVGKGSDLGGGCSTMGTLSGGGNIVISVGEGCLIGANAGIGIPLGDRNIVEAGLYITAGTKVALLDEQNALVKVVKARDLAGQPDLLFRRNSQNGAVECKTNKTAIELNEALHAHN
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
5- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0008666 Catalysis of the reaction: (S)-2,3,4,5-tetrahydrodipicolinate + H2O + succinyl-CoA = L-2-succinylamino-6-oxopimelate + CoA.
- GO:0000287 Binding to a magnesium (Mg) ion.
- GO:0019877 OBSOLETE. The chemical reactions and pathways resulting in the formation of diaminopimelate, both as an intermediate in lysine biosynthesis and as a component (as meso-diaminopimelate) of the peptidoglycan of Gram-negative bacterial cell walls.
- GO:0009089 OBSOLETE. The chemical reactions and pathways resulting in the formation of lysine, via the intermediate diaminopimelate.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 254 | 286 | Pfam | PF14602 | Hexapeptide repeat of succinyl-transferase |
| 254 | 286 | InterPro | IPR001451 | Hexapeptide repeat |
| 4 | 341 | Hamap | MF_02122 | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase [dapD]. |
| 4 | 341 | InterPro | IPR026586 | Type 2 tetrahydrodipicolinate N-succinyltransferase family |
| 132 | 172 | FunFam | G3DSA:3.30.60.70:FF:000001 | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase |
| 132 | 172 | Pfam | PF14789 | Tetrahydrodipicolinate N-succinyltransferase middle |
| 132 | 172 | InterPro | IPR032784 | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase, middle domain |
| 181 | 327 | CDD | cd04649 | LbH_THP_succinylT_putative |
| 173 | 344 | Gene3D | G3DSA:2.160.10.10 | Hexapeptide repeat proteins |
| 1 | 131 | Gene3D | G3DSA:3.30.70.2010 | - |
| 82 | 129 | Pfam | PF14790 | Tetrahydrodipicolinate N-succinyltransferase N-terminal |
| 5 | 344 | NCBIfam | TIGR03536 | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase |
| 5 | 344 | InterPro | IPR019876 | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase, gammaproteobacteria |
| 132 | 172 | Gene3D | G3DSA:3.30.60.70 | - |
| 132 | 172 | InterPro | IPR038361 | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase, middle domain superfamily |
| 173 | 344 | FunFam | G3DSA:2.160.10.10:FF:000009 | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase |
| 97 | 306 | SUPERFAMILY | SSF51161 | Trimeric LpxA-like enzymes |
| 97 | 306 | InterPro | IPR011004 | Trimeric LpxA-like superfamily |
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
4 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
PDB
3R5D
|
X-ray | 1.80 Å | A,B,C,D,E,F |
|
Viewing | |
|
PDB
3R5A
|
X-ray | 1.89 Å | A,B,C,D,E,F |
|
Loaded | |
|
PDB
3R5C
|
X-ray | 2.40 Å | A,B,C |
|
Loaded | |
|
PDB
3R5B
|
X-ray | 2.51 Å | A,B,C,D,E,F |
|
Loaded | |
|
AlphaFold
PA3666
|
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 | 0.748 |
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 | 6.19 | 0.309 | ||||||
| 2 | 2.39 | 0.064 | ||||||
| 3 | 1.97 | 0.041 | ||||||
| 4 | 1.25 | 0.012 |
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 | 0.603 | ||||||
| 1 | 0.517 | ||||||
| 3 | 0.435 |
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 |
|---|---|---|---|---|---|
| NPI | 175.2 Da LogP 0.04 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
C(CCC(=O)O)C[C@@H](C(=O)O)N
|
|
| P0A | 175.2 Da LogP 0.04 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
C(CCC(=O)O)C[C@H](C(=O)O)N
|
|
| SIN | 118.1 Da LogP -0.06 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
C(CC(=O)O)C(=O)O
|
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 |
|---|---|---|---|---|---|---|
| SCA | P9WP21 | 867.6 Da LogP -1.47 TPSA 400.9 | 3 viol. | ✓ Clean |
CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H](…
|
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 |
|---|---|---|---|---|---|
| ZINC2106542 | 0.955 | 245.3 Da LogP 1.99 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCCCCCC(=O)O)C(=O)O
|
| ZINC2106543 | 0.955 | 245.3 Da LogP 1.99 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCCCCCC(=O)O)C(=O)O
|
| ZINC2108713 | 0.955 | 217.3 Da LogP 1.21 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCCCC(=O)O)C(=O)O
|
| ZINC2108714 | 0.955 | 217.3 Da LogP 1.21 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCCCC(=O)O)C(=O)O
|
| ZINC3055005 | 0.762 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC3055007 | 0.762 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC3055010 | 0.762 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1555366 | 0.727 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1555367 | 0.727 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1555369 | 0.727 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720127 | 0.727 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1720128 | 0.727 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720130 | 0.727 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC2151107 | 0.667 | 231.3 Da LogP 1.60 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
NC(CCCCC(=O)O)CCCCC(=O)O
|
| ZINC2839271 | 0.667 | 245.3 Da LogP 1.99 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC(=O)O)CCCCC(=O)O
|
| ZINC2839272 | 0.667 | 245.3 Da LogP 1.99 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCC(=O)O)CCCCC(=O)O
|
| ZINC4956318 | 0.667 | 273.4 Da LogP 2.77 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCCCC(=O)O)CCCCC(=O)O
|
| ZINC4956319 | 0.667 | 273.4 Da LogP 2.77 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCCCC(=O)O)CCCCC(=O)O
|
| ZINC12501926 | 0.655 | 235.3 Da LogP 0.78 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCSCCCCC(=O)O)C(=O)O
|
| ZINC2047772 | 0.655 | 235.3 Da LogP 0.78 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCSCCCCC(=O)O)C(=O)O
|
| ZINC3593496 | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC3593497 | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@](O)(CC(=O)O)C(=O)O
|
| ZINC2151063 | 0.640 | 245.3 Da LogP 1.99 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCCC(=O)O)CCCC(=O)O
|
| ZINC2151068 | 0.640 | 245.3 Da LogP 1.99 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCCC(=O)O)CCCC(=O)O
|
| ZINC14686440 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=O…
|
| ZINC14686442 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@](O)(CC(=O…
|
| ZINC14686444 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=…
|
| ZINC14584046 | 0.621 | 204.2 Da LogP -0.76 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCNCC(=O)O)C(=O)O
|
| ZINC2599098 | 0.621 | 204.2 Da LogP -0.76 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCNCC(=O)O)C(=O)O
|
| ZINC1529497 | 0.615 | 230.3 Da LogP 3.06 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCCCCCC(=O)O
|
| ZINC1531045 | 0.615 | 202.2 Da LogP 2.28 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCCCC(=O)O
|
| ZINC1593115 | 0.615 | 216.3 Da LogP 2.67 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCCCCC(=O)O
|
| ZINC1700020 | 0.615 | 244.3 Da LogP 3.45 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCCCCCCC(=O)O
|
| ZINC3860440 | 0.615 | 258.4 Da LogP 3.84 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCCCCCCCC(=O)O
|
| ZINC3861298 | 0.615 | 286.4 Da LogP 4.62 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCCCCCCCCCC(=O)O
|
| ZINC5113062 | 0.615 | 272.4 Da LogP 4.23 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCCCCCCCCCCC(=O)O
|
| ZINC71754172 | 0.613 | 246.3 Da LogP -0.45 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCNC(=O)CCC(=O)O)C(=O)O
|
| ZINC145330059 | 0.607 | 207.3 Da LogP -0.00 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSCCCC(=O)O)C(=O)O
|
| ZINC96031283 | 0.607 | 207.3 Da LogP -0.00 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CSCCCC(=O)O)C(=O)O
|
| ZINC1532666 | 0.594 | 276.3 Da LogP -0.52 TPSA 149.9 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O
|
| ZINC1570993 | 0.593 | 215.3 Da LogP 2.93 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[C@H](N)C(=O)O
|
| ZINC1620974 | 0.593 | 243.4 Da LogP 3.71 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[C@H](N)C(=O)O
|
| ZINC1742220 | 0.593 | 201.3 Da LogP 2.54 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC[C@H](N)C(=O)O
|
| ZINC2035155 | 0.593 | 215.3 Da LogP 2.93 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[C@@H](N)C(=O)O
|
| ZINC2037129 | 0.593 | 243.4 Da LogP 3.71 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[C@@H](N)C(=O)O
|
| ZINC4026900 | 0.593 | 201.3 Da LogP 2.54 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
C[C@H](N)CCCCCCCCC(=O)O
|
| ZINC43531622 | 0.593 | 271.4 Da LogP 4.49 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC[C@H](N)C(=O)O
|
| ZINC43531626 | 0.593 | 271.4 Da LogP 4.49 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC[C@@H](N)C(=O)O
|
| ZINC5113209 | 0.593 | 275.3 Da LogP -0.26 TPSA 138.7 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCNCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC8437446 | 0.593 | 229.4 Da LogP 3.32 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC[C@@H](N)C(=O)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.