Overview
Basic information about this protein and its source genome.
- Accession
- PA2074
- Gene
- PA2074
- Status
- annotated
- Amino acids
- 270
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 32.27
- Human E-value
- 1.4500000000000002e-21
- 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.
MAKVTVACCQIAPRIGAQEHNLRLAERAIREAARRGANVVVLPELAASGYVFADRGEALALAETRDGPSLGLWKALAGELDLVIVGGFCERLDPQRVANSAALVDADGVRAIYRKAHLWNEESGIFEAGEQPPPVVATRFGRIAVMVCYDLEFPEWVRLPALSGAQLLCAPVNWPAAPRPEGERPAEVVRVQANASVNRLFIAACDRCGQERGVDWVGGSVIVDADGYPLDGPLQGEAGMLLARLDLAEADEKRISAHNHVHRDRRPELY
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
3- GO:0050126 Catalysis of the reaction: N-carbamoylputrescine + H2O + 2 H+ = CO2 + NH4 + putrescine.
- GO:0033388 The chemical reactions and pathways resulting in the formation of putrescine, 1,4-diaminobutane, from other compounds, including arginine.
- GO:0006807 OBSOLETE. The chemical reactions and pathways involving organic or inorganic compounds that contain nitrogen.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 270 | SUPERFAMILY | SSF56317 | Carbon-nitrogen hydrolase |
| 1 | 270 | InterPro | IPR036526 | Carbon-nitrogen hydrolase superfamily |
| 3 | 270 | FunFam | G3DSA:3.60.110.10:FF:000044 | Carbon-nitrogen hydrolase |
| 5 | 252 | Pfam | PF00795 | Carbon-nitrogen hydrolase |
| 5 | 252 | InterPro | IPR003010 | Carbon-nitrogen hydrolase |
| 3 | 270 | PANTHER | PTHR43674 | NITRILASE C965.09-RELATED |
| 3 | 270 | Gene3D | G3DSA:3.60.110.10 | - |
| 3 | 270 | InterPro | IPR036526 | Carbon-nitrogen hydrolase superfamily |
| 4 | 247 | ProSiteProfiles | PS50263 | Carbon-nitrogen hydrolase domain profile. |
| 4 | 247 | InterPro | IPR003010 | Carbon-nitrogen hydrolase |
| 15 | 35 | Coils | Coil | Coil |
| 5 | 270 | CDD | cd07580 | nitrilase_2 |
| 144 | 164 | ProSitePatterns | PS01227 | Uncharacterized protein family UPF0012 signature. |
| 144 | 164 | InterPro | IPR001110 | Uncharacterised protein family UPF0012, conserved site |
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
PA2074
|
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 | 0.706 | ||||||
| 2 | 0.367 |
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.
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 |
|---|---|---|---|---|---|---|
| CDT | P60327 | 192.2 Da LogP -0.14 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](C(=O)O)NC(=O)N
|
|
| CDV | P60327 | 160.2 Da LogP -0.24 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CC(C)[C@H](C(=O)O)NC(=O)N
|
|
| EMC | O76463 | 229.7 Da LogP 0.97 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
CC[Hg+]
|
|
| ING | P60327 | 208.2 Da LogP 0.35 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N
|
|
| N2H | G7ITU5 | 134.2 Da LogP -1.42 TPSA 78.5 | ✓ Ro5 | ✓ Clean |
C(CCNC(O)O)CN
|
|
| N2P | G7ITU5 | 102.2 Da LogP 0.07 TPSA 52.0 | ✓ Ro5 | ✓ Clean |
C(CCN)CCN
|
|
| P6W | O58376 | 130.1 Da LogP -0.87 TPSA 86.2 | ✓ Ro5 | ✓ Clean |
C(CC(=O)N)CC(=O)N
|
|
| PUT | G7ITU5 | 88.2 Da LogP -0.32 TPSA 52.0 | ✓ Ro5 | ✓ Clean |
C(CCN)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 |
|---|---|---|---|---|---|---|
| CHEMBL4129274 | Q86X76 | — | 851.5 Da LogP 4.76 TPSA 183.3 | 3 viol. | Alert |
C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(CCOCCOCCOCC…
|
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 |
|---|---|---|---|---|---|
| ZINC129408 | 1.000 | 208.2 Da LogP 0.35 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
NC(=O)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC1685531 | 1.000 | 200.4 Da LogP 2.80 TPSA 52.0 | ✓ Ro5 | ✓ Clean |
NCCCCCCCCCCCCN
|
| ZINC34273707 | 1.000 | 256.5 Da LogP 4.37 TPSA 52.0 | ✓ Ro5 | ✓ Clean |
NCCCCCCCCCCCCCCCCN
|
| ZINC5178646 | 1.000 | 228.4 Da LogP 3.59 TPSA 52.0 | ✓ Ro5 | ✓ Clean |
NCCCCCCCCCCCCCCN
|
| ZINC1653010 | 0.774 | 207.2 Da LogP 0.17 TPSA 99.2 | ✓ Ro5 | ✓ Clean |
N=C(N)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC2042590 | 0.774 | 207.2 Da LogP 0.17 TPSA 99.2 | ✓ Ro5 | ✓ Clean |
N=C(N)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC116475206 | 0.769 | 284.4 Da LogP 3.42 TPSA 86.2 | ✓ Ro5 | ✓ Clean |
NC(=O)CCCCCCCCCCCCCCC(N)=O
|
| ZINC1587906 | 0.769 | 200.3 Da LogP 1.08 TPSA 86.2 | ✓ Ro5 | ✓ Clean |
NC(=O)CCCCCCCCC(N)=O
|
| ZINC71771467 | 0.769 | 256.4 Da LogP 2.64 TPSA 86.2 | ✓ Ro5 | ✓ Clean |
NC(=O)CCCCCCCCCCCCC(N)=O
|
| ZINC409842 | 0.750 | 224.2 Da LogP 0.06 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
|
| ZINC409843 | 0.750 | 224.2 Da LogP 0.06 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
NC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O
|
| ZINC34275762 | 0.727 | 222.2 Da LogP 0.44 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
COC(=O)[C@@H](Cc1ccccc1)NC(N)=O
|
| ZINC34275763 | 0.727 | 222.2 Da LogP 0.44 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
COC(=O)[C@H](Cc1ccccc1)NC(N)=O
|
| ZINC3581319 | 0.710 | 208.2 Da LogP 0.76 TPSA 93.4 | ✓ Ro5 | ✓ Clean |
N=C(O)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC5682347 | 0.700 | 254.3 Da LogP 2.51 TPSA 55.1 | ✓ Ro5 | ✓ Clean |
NC(=O)NC(Cc1ccccc1)Cc1ccccc1
|
| ZINC1569529 | 0.697 | 222.2 Da LogP -0.24 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC4081371 | 0.697 | 222.2 Da LogP -0.24 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
NCC(=O)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC135391 | 0.688 | 207.2 Da LogP 0.82 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC135392 | 0.688 | 207.2 Da LogP 0.82 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CC(=O)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC1569422 | 0.688 | 206.3 Da LogP -0.73 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@@H](NC(=O)CN)C(=O)O
|
| ZINC1569524 | 0.688 | 206.3 Da LogP -0.73 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](NC(=O)CN)C(=O)O
|
| ZINC26637924 | 0.688 | 237.2 Da LogP -0.12 TPSA 103.7 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC26637928 | 0.688 | 237.2 Da LogP -0.12 TPSA 103.7 | ✓ Ro5 | ✓ Clean |
O=C(O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC4899436 | 0.688 | 283.3 Da LogP 2.04 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC5273598 | 0.688 | 283.3 Da LogP 2.04 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(Cc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC22696372 | 0.686 | 297.4 Da LogP 1.58 TPSA 84.2 | ✓ Ro5 | ✓ Clean |
NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
|
| ZINC22696374 | 0.686 | 297.4 Da LogP 1.58 TPSA 84.2 | ✓ Ro5 | ✓ Clean |
NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1
|
| ZINC5768212 | 0.677 | 205.3 Da LogP 0.72 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCC(=O)N[C@@H](CCSC)C(=O)O
|
| ZINC5768215 | 0.677 | 205.3 Da LogP 0.72 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCC(=O)N[C@H](CCSC)C(=O)O
|
| ZINC1598043 | 0.676 | 236.3 Da LogP 0.15 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
NCCC(=O)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC1605264 | 0.676 | 312.4 Da LogP 1.37 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC1605265 | 0.676 | 312.4 Da LogP 1.37 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC1605266 | 0.676 | 312.4 Da LogP 1.37 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC1605267 | 0.676 | 312.4 Da LogP 1.37 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC2545129 | 0.676 | 236.3 Da LogP 0.15 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC124018 | 0.667 | 269.3 Da LogP 2.11 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccccc1
|
| ZINC13544978 | 0.667 | 223.2 Da LogP -0.21 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
O=C(CO)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC13544980 | 0.667 | 223.2 Da LogP -0.21 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
O=C(CO)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC1581100 | 0.667 | 265.3 Da LogP -0.53 TPSA 121.5 | ✓ Ro5 | ✓ Clean |
NC(=O)CNC(=O)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC1605257 | 0.667 | 280.4 Da LogP 0.39 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)O
|
| ZINC1605258 | 0.667 | 280.4 Da LogP 0.39 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](NC(=O)[C@H](N)CCSC)C(=O)O
|
| ZINC1605259 | 0.667 | 280.4 Da LogP 0.39 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)C(=O)N[C@H](CCSC)C(=O)O
|
| ZINC1605260 | 0.667 | 280.4 Da LogP 0.39 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@@H](N)C(=O)N[C@H](CCSC)C(=O)O
|
| ZINC1677646 | 0.667 | 221.3 Da LogP 1.21 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC1708197 | 0.667 | 220.3 Da LogP -0.34 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](NC(=O)[C@H](C)N)C(=O)O
|
| ZINC1708198 | 0.667 | 220.3 Da LogP -0.34 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](NC(=O)[C@@H](C)N)C(=O)O
|
| ZINC1708199 | 0.667 | 220.3 Da LogP -0.34 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@@H](NC(=O)[C@H](C)N)C(=O)O
|
| ZINC1708200 | 0.667 | 220.3 Da LogP -0.34 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
CSCC[C@@H](NC(=O)[C@@H](C)N)C(=O)O
|
| ZINC6575200 | 0.667 | 265.3 Da LogP -0.53 TPSA 121.5 | ✓ Ro5 | ✓ Clean |
NC(=O)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
| ZINC6655209 | 0.667 | 221.3 Da LogP 1.21 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
CCC(=O)N[C@H](Cc1ccccc1)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.