Attributes
UniProt ID
Protein Name
Mannuronan synthase
Ligand Name
9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PKFDLKSEZWEFGL-MHARETSRSA-N
SMILES
c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4RT0
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Color Legend
Unassigned regionsLigand / hetero atomse4rt0A1e4rt0B1e4rt0C1
ECOD domains from experimental PDB structures interacting with ligand C2E
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9HY69 | n/a | C2E | 4rt0 | e4rt0A1 | A:14-122 |
| Q9HY69 | n/a | C2E | 4rt0 | e4rt0B1 | B:15-121 |
| Q9HY69 | n/a | C2E | 4rt0 | e4rt0C1 | C:16-122 |
| Q9HY69 | n/a | C2E | 4rt1 | e4rt1A1 | A:14-121 |
| Q9HY69 | n/a | C2E | 4rt1 | e4rt1B1 | B:15-122 |
| Q9HY69 | n/a | C2E | 4rt1 | e4rt1C1 | C:15-122 |
| Q9HY69 | n/a | C2E | 4xrn | e4xrnA1 | A:3-106 |
| Q9HY69 | n/a | C2E | 4xrn | e4xrnB1 | B:4-106 |
| Q9HY69 | n/a | C2E | 4xrn | e4xrnC1 | C:3-110 |
| Q9HY69 | n/a | C2E | 4xrn | e4xrnD1 | D:1-106 |