Ligand profile
P5F
Ligand co-crystallized with a similar protein (Protein Data Bank).
Bound to: VK055_1436 — putA bifunctional enzyme and transcriptional regulator PutA transcriptional repressor, Proline dehydrogenase/pyrroline-5-carboxylate dehydrogenase
Identifiers
Database identifiers and provenance.
- Ligand ID
P5F- PDB
5ur2- UniProt (similar protein)
Q6MNK1- Target protein
- VK055_1436
Chemical representations
Canonical representations for cheminformatics workflows.
CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)OCC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
Provenance
Annotation context from LigQ_2, the internal Target step that collects PDB, ChEMBL, and ZINC ligand evidence.
- Method
- LigQ nearest_k
- Source
- PDB
- Binding sites
- PF01619
External resources
Open this ligand in third-party databases and cheminformatics tools.
- PDB RCSB ligand P5F →
- PDB RCSB structure 5ur2 →
- UniProt UniProt Q6MNK1 (homolog) →
- PubChem PubChem (by SMILES) →
- Cheminformatics SwissADME prediction →
- Cheminformatics SwissTargetPrediction →
- Web Google Scholar (search “P5F”) →
Other ligands for this protein
Quick navigation to other ligands bound to VK055_1436.
PDB 16
Ligands co-crystallized with this protein (structural evidence).
ZINC 50
Virtual screening candidates selected by structural similarity to known actives (Tanimoto ≥ 0.5).