Ligand profile
COB
Ligand co-crystallized with a similar protein (Protein Data Bank).
Bound to: KP13_00354 — Methionine synthase
Identifiers
Database identifiers and provenance.
- Ligand ID
COB- PDB
1bmt- UniProt (similar protein)
P13009- Target protein
- KP13_00354
Chemical representations
Canonical representations for cheminformatics workflows.
Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)OCc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)O
Provenance
Annotation context from LigQ_2, the internal Target step that collects PDB, ChEMBL, and ZINC ligand evidence.
- Method
- LigQ sequence
- Source
- PDB
- Binding sites
- PF02310' 'PF02607
External resources
Open this ligand in third-party databases and cheminformatics tools.
- PDB RCSB ligand COB →
- PDB RCSB structure 1bmt →
- UniProt UniProt P13009 (homolog) →
- PubChem PubChem (by SMILES) →
- Cheminformatics SwissADME prediction →
- Cheminformatics SwissTargetPrediction →
- Web Google Scholar (search “COB”) →
Other ligands for this protein
Quick navigation to other ligands bound to KP13_00354.
PDB 7
Ligands co-crystallized with this protein (structural evidence).
ZINC 50
Virtual screening candidates selected by structural similarity to known actives (Tanimoto ≥ 0.5).