Attributes
UniProt ID
Protein Name
Tetrachloroethene reductive dehalogenase
Ligand Name
NORPSEUDO-B12
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XZMFKDUDYMLUGK-GVNDBXLGSA-M
SMILES
CC1=C2C(C(C3=CC4=[N+]5C(=C(C6=[N+]7[Co+2]5(N32)[N+]8=C1C(C(C8C7(C(C6CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)OC9C(OC(C9O)n1cnc2c1c(ncn2)N)CO)C)C(C4CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5M2G
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Color Legend
Unassigned regionsLigand / hetero atomse5m2gA1e5m2gA2e5m2gB1e5m2gB2
ECOD domains from experimental PDB structures interacting with ligand BVQ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| O68252 | n/a | BVQ | 5m2g | e5m2gA1 | A:1-322 |
| O68252 | n/a | BVQ | 5m2g | e5m2gA2 | A:323-462 |
| O68252 | n/a | BVQ | 5m2g | e5m2gB1 | B:7-322 |
| O68252 | n/a | BVQ | 5m2g | e5m2gB2 | B:323-394,B:431-461 |
| O68252 | n/a | BVQ | 5m8u | e5m8uA1 | A:3-322 |
| O68252 | n/a | BVQ | 5m8u | e5m8uA2 | A:323-462 |
| O68252 | n/a | BVQ | 5m8u | e5m8uB1 | B:8-322 |
| O68252 | n/a | BVQ | 5m8u | e5m8uB2 | B:323-394,B:431-461 |
| O68252 | n/a | BVQ | 5m8w | e5m8wA1 | A:323-462 |
| O68252 | n/a | BVQ | 5m8w | e5m8wA2 | A:3-322 |
| O68252 | n/a | BVQ | 5m8w | e5m8wB1 | B:7-322 |
| O68252 | n/a | BVQ | 5m8w | e5m8wB2 | B:323-394,B:431-461 |
| O68252 | n/a | BVQ | 5ma2 | e5ma2A1 | A:1-322 |
| O68252 | n/a | BVQ | 5ma2 | e5ma2A2 | A:323-462 |
| O68252 | n/a | BVQ | 5ma2 | e5ma2B1 | B:8-322 |
| O68252 | n/a | BVQ | 5ma2 | e5ma2B2 | B:323-394,B:431-461 |