Overview
Basic information about this protein and its source genome.
- Accession
- PA1195
- Gene
- PA1195
- Status
- annotated
- Amino acids
- 254
- Structure source
- Experimental + AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 30.827
- Human E-value
- 3.15e-29
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- 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.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
6- GO:0016597 Binding to an amino acid, organic acids containing one or more amino substituents.
- GO:0016403 Catalysis of the reaction: N(G),N(G)-dimethyl-L-arginine + H2O = dimethylamine + L-citrulline.
- GO:0046872 Binding to a metal ion.
- GO:0006525 The chemical reactions and pathways involving arginine, 2-amino-5-(carbamimidamido)pentanoic acid.
- GO:0000052 The chemical reactions and pathways involving citrulline, N5-carbamoyl-L-ornithine, an alpha amino acid not found in proteins.
- GO:0045429 Any process that activates or increases the frequency, rate or extent of the chemical reactions and pathways resulting in the formation of nitric oxide.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 254 | Gene3D | G3DSA:3.75.10.10 | - |
| 2 | 253 | PANTHER | PTHR12737 | DIMETHYLARGININE DIMETHYLAMINOHYDROLASE |
| 2 | 253 | InterPro | IPR033199 | Dimethylarginine dimethylaminohydrolase |
| 2 | 253 | SUPERFAMILY | SSF55909 | Pentein |
| 29 | 250 | Pfam | PF19420 | N,N dimethylarginine dimethylhydrolase, eukaryotic |
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
3 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
PDB
1H70
|
X-ray | 1.80 Å | A |
|
Viewing | |
|
PDB
3RHY
|
X-ray | 2.18 Å | A,B |
|
Loaded | |
|
PDB
3BPB
|
X-ray | 2.81 Å | A,B |
|
Loaded | |
|
AlphaFold
PA1195
|
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 | 0.433 | ||||||
| 3 | 0.351 |
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 | 14.24 | 0.716 | ||||||
| 2 | 5.93 | 0.291 | ||||||
| 3 | 2.91 | 0.093 | ||||||
| 4 | 2.72 | 0.081 |
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 | 0.713 |
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 |
|---|---|---|---|---|---|
| CIR | 175.2 Da LogP -1.15 TPSA 118.4 | ✓ Ro5 | ✓ Clean |
C(C[C@@H](C(=O)O)N)CNC(=O)N
|
|
| HM3 | 143.6 Da LogP 1.23 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
c1cnc(cc1Cl)CO
|
|
| SMZ | 205.3 Da LogP 0.07 TPSA 99.2 | ✓ Ro5 | ✓ Clean |
[H]/N=C(/NCCC[C@@H](C(=O)O)N)\SC
|
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 |
|---|---|---|---|---|---|---|
| HCS | P56965 | 135.2 Da LogP -0.28 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
C(CS)[C@@H](C(=O)O)N
|
|
| LN5 | O94760 | 187.2 Da LogP 0.16 TPSA 99.2 | ✓ Ro5 | ✓ Clean |
[H]/N=C(/CC)\NCCC[C@@H](C(=O)O)N
|
|
| LN6 | O94760 | 215.3 Da LogP 0.94 TPSA 99.2 | ✓ Ro5 | ✓ Clean |
[H]/N=C(\CCCC)/NCCC[C@@H](C(=O)O)N
|
|
| LN7 | O94760 | 217.3 Da LogP 0.24 TPSA 101.4 | ✓ Ro5 | ✓ Clean |
CCCC[C@@H](N)NCCC[C@@H](C(=O)O)N
|
|
| M3B | O94760 | 190.3 Da LogP -1.21 TPSA 85.3 | ✓ Ro5 | ✓ Clean |
COCCN[C@@H](N)NCCCCN
|
|
| ORN | Q8YMD9 | 132.2 Da LogP -0.86 TPSA 89.3 | ✓ Ro5 | ✓ Clean |
C(C[C@@H](C(=O)O)N)CN
|
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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| GBG | O94760 | 6.72 | 221.7 Da LogP 0.37 TPSA 99.2 | ✓ Ro5 | ✓ Clean |
[H]/N=C(\CCl)/NCCCC[C@@H](C(=O)O)N
|
| CHEMBL4444007 | O94760 | 6.00 | 309.4 Da LogP -2.07 TPSA 146.4 | ✓ Ro5 | ✓ Clean |
COCCNC(=N)NCCC[C@H](N)C(=O)NS(C)(=O)=O
|
| CHEMBL1201320 | O94760 | — | 345.4 Da LogP 2.90 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2…
|
| CHEMBL1219 | O94760 | — | 359.5 Da LogP 2.99 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C
|
| CHEMBL1475252 | O94760 | — | 346.4 Da LogP 2.29 TPSA 96.0 | ✓ Ro5 | ✓ Clean |
COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1
|
| CHEMBL1502 | O94760 | — | 383.4 Da LogP 2.88 TPSA 92.3 | ✓ Ro5 | ✓ Clean |
COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1…
|
| CHEMBL1503 | Q9CWS0 | — | 345.4 Da LogP 2.90 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1
|
| CHEMBL2087646 | O94760 | — | 194.3 Da LogP 1.88 TPSA 52.0 | ✓ Ro5 | ✓ Clean |
NCCSc1nc2ccccc2o1
|
| CHEMBL351569 | O94760 | — | 146.2 Da LogP 2.13 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
CCc1nc2ccccc2[nH]1
|
| CHEMBL480 | O94760 | — | 369.4 Da LogP 3.52 TPSA 73.9 | ✓ Ro5 | ✓ Clean |
Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1
|
| CHEMBL51085 | O94760 | — | 274.2 Da LogP 2.05 TPSA 22.0 | ✓ Ro5 | ✓ Clean |
O=c1c2ccccc2[se]n1-c1ccccc1
|
| CHEMBL595227 | O94760 | — | 217.3 Da LogP 2.18 TPSA 39.5 | ✓ Ro5 | ✓ Clean |
N=C1Sc2ccccc2C2=NCCCN12
|
| D20 | Q9CWS0 | — | 232.3 Da LogP -1.06 TPSA 120.5 | ✓ Ro5 | ✓ Clean |
COCCNC(=N)NCCC[C@@H](C(=O)O)N
|
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 |
|---|---|---|---|---|---|
| ZINC3993826 | 1.000 | 217.3 Da LogP 2.18 TPSA 39.5 | ✓ Ro5 | ✓ Clean |
N=C1Sc2ccccc2C2=NCCCN12
|
| ZINC7997269 | 0.824 | 205.3 Da LogP 0.07 TPSA 99.2 | ✓ Ro5 | ✓ Clean |
CSC(=N)NCCC[C@@H](N)C(=O)O
|
| ZINC1907564 | 0.800 | 328.4 Da LogP 4.85 TPSA 52.1 | ✓ Ro5 | ✓ Clean |
c1ccc2oc(SCCSc3nc4ccccc4o3)nc2c1
|
| ZINC202177025 | 0.737 | 218.3 Da LogP 2.36 TPSA 32.7 | ✓ Ro5 | ✓ Clean |
O=C1Sc2ccccc2C2=NCCCN12
|
| ZINC189121 | 0.704 | 248.3 Da LogP 3.03 TPSA 57.4 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(Cc3nc4ccccc4[nH]3)nc2c1
|
| ZINC235510 | 0.704 | 262.3 Da LogP 3.22 TPSA 57.4 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(CCc3nc4ccccc4[nH]3)nc2c1
|
| ZINC1532902 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC2018106 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@](O)(CC(=O)O)C(=O)O
|
| ZINC2665582 | 0.686 | 372.5 Da LogP 4.87 TPSA 61.3 | ✓ Ro5 | ✓ Clean |
c1ccc2oc(SCCOCCSc3nc4ccccc4o3)nc2c1
|
| ZINC6853827 | 0.667 | 207.3 Da LogP 3.72 TPSA 26.0 | ✓ Ro5 | ✓ Clean |
CCCCSc1nc2ccccc2o1
|
| ZINC5519515 | 0.658 | 253.4 Da LogP 2.55 TPSA 75.9 | ✓ Ro5 | ✓ Clean |
N=C(N)SCCSc1nc2ccccc2o1
|
| ZINC7136832 | 0.658 | 222.3 Da LogP 1.80 TPSA 69.1 | ✓ Ro5 | ✓ Clean |
NC(=O)CCSc1nc2ccccc2o1
|
| ZINC347267 | 0.656 | 203.3 Da LogP 2.40 TPSA 31.9 | ✓ Ro5 | ✓ Clean |
CCN(CC)Cc1nc2ccccc2[nH]1
|
| ZINC43442951 | 0.656 | 230.4 Da LogP 4.47 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCc1nc2ccccc2[nH]1
|
| ZINC50704687 | 0.656 | 244.4 Da LogP 4.86 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCc1nc2ccccc2[nH]1
|
| ZINC5214506 | 0.656 | 202.3 Da LogP 3.69 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
CCCCCCc1nc2ccccc2[nH]1
|
| ZINC8385772 | 0.656 | 216.3 Da LogP 4.08 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCc1nc2ccccc2[nH]1
|
| ZINC13281901 | 0.655 | 304.4 Da LogP 4.39 TPSA 57.4 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(CCCCCc3nc4ccccc4[nH]3)nc2c1
|
| ZINC1615339 | 0.655 | 290.4 Da LogP 4.00 TPSA 57.4 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(CCCCc3nc4ccccc4[nH]3)nc2c1
|
| ZINC2025620 | 0.655 | 318.4 Da LogP 4.78 TPSA 57.4 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(CCCCCCc3nc4ccccc4[nH]3)nc2c1
|
| ZINC4256850 | 0.655 | 276.3 Da LogP 3.61 TPSA 57.4 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(CCCc3nc4ccccc4[nH]3)nc2c1
|
| ZINC6661753 | 0.655 | 278.3 Da LogP 3.16 TPSA 66.6 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(COCc3nc4ccccc4[nH]3)nc2c1
|
| 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
|
| ZINC1588702 | 0.649 | 222.3 Da LogP 2.48 TPSA 29.3 | ✓ Ro5 | ✓ Clean |
CN(C)CCSc1nc2ccccc2o1
|
| ZINC71773992 | 0.649 | 221.3 Da LogP 4.11 TPSA 26.0 | ✓ Ro5 | ✓ Clean |
CCCCCSc1nc2ccccc2o1
|
| ZINC13215263 | 0.645 | 304.4 Da LogP 4.25 TPSA 57.4 | ✓ Ro5 | ✓ Clean |
CC(C)(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1
|
| ZINC13215333 | 0.645 | 290.4 Da LogP 3.86 TPSA 57.4 | ✓ Ro5 | ✓ Clean |
CC(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1
|
| ZINC14983469 | 0.633 | 338.4 Da LogP 4.62 TPSA 57.4 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(Cc3ccc(Cc4nc5ccccc5[nH]4)cc3)nc2c1
|
| ZINC1530935 | 0.633 | 359.5 Da LogP 2.99 TPSA 77.1 | ✓ Ro5 | ✓ Clean |
COCCCOc1ccnc(C[S@](=O)c2nc3ccccc3[nH]2)c1C
|
| ZINC33807798 | 0.633 | 277.3 Da LogP 2.73 TPSA 69.4 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(CNCc3nc4ccccc4[nH]3)nc2c1
|
| ZINC4618208 | 0.633 | 359.5 Da LogP 2.99 TPSA 77.1 | ✓ Ro5 | ✓ Clean |
COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C
|
| ZINC8617147 | 0.633 | 407.5 Da LogP 4.52 TPSA 89.3 | ✓ Ro5 | ✓ Clean |
c1ccc2[nH]c(CN(Cc3nc4ccccc4[nH]3)Cc3nc4ccccc4[n…
|
| ZINC175909 | 0.632 | 223.3 Da LogP 2.39 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
O=C(O)CCSc1nc2ccccc2o1
|
| ZINC21992166 | 0.627 | 343.5 Da LogP 3.97 TPSA 60.0 | ✓ Ro5 | ✓ Clean |
COCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C
|
| ZINC3830986 | 0.627 | 369.4 Da LogP 3.52 TPSA 67.9 | ✓ Ro5 | ✓ Clean |
Cc1c(OCC(F)(F)F)ccnc1C[S@](=O)c1nc2ccccc2[nH]1
|
| ZINC599734 | 0.627 | 369.4 Da LogP 3.52 TPSA 67.9 | ✓ Ro5 | ✓ Clean |
Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1
|
| 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(=…
|
| ZINC196899382 | 0.625 | 228.2 Da LogP -0.14 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCNC(=O)C(F)(F)F)C(=O)O
|
| ZINC3888556 | 0.625 | 210.3 Da LogP 1.11 TPSA 62.8 | ✓ Ro5 | ✓ Clean |
CS(=O)(=O)Cc1nc2ccccc2[nH]1
|
| ZINC65356716 | 0.625 | 205.3 Da LogP -0.35 TPSA 98.2 | ✓ Ro5 | ✓ Clean |
CSC(=O)[C@@H](N)CCCNC(N)=O
|
| ZINC815426 | 0.621 | 353.4 Da LogP 4.50 TPSA 50.8 | ✓ Ro5 | ✓ Clean |
Cc1c(OCC(F)(F)F)ccnc1CSc1nc2ccccc2[nH]1
|
| ZINC4155291 | 0.618 | 216.2 Da LogP -1.37 TPSA 130.8 | ✓ Ro5 | ✓ Clean |
CC(=O)/N=C(\N)NCCC[C@H](N)C(=O)O
|
| ZINC4155299 | 0.618 | 216.2 Da LogP -1.37 TPSA 130.8 | ✓ Ro5 | ✓ Clean |
CC(=O)/N=C(\N)NCCC[C@@H](N)C(=O)O
|
| ZINC55255751 | 0.618 | 200.3 Da LogP 3.46 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
CC/C=C\CCc1nc2ccccc2[nH]1
|
| ZINC85399006 | 0.618 | 222.3 Da LogP 3.79 TPSA 28.7 | ✓ Ro5 | ✓ Clean |
CCc1nc2ccc(-c3ccccc3)cc2[nH]1
|
| ZINC470284 | 0.615 | 271.4 Da LogP 2.35 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
CCS(=O)(=O)CCSc1nc2ccccc2o1
|
| ZINC6186097 | 0.615 | 221.3 Da LogP 2.90 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
CC(=O)CCSc1nc2ccccc2o1
|
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.