Attributes
UniProt ID
Protein Name
3-dehydroquinate synthase
Ligand Name
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 1XAG
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Color Legend
Unassigned regionsLigand / hetero atomse1xagA1e1xagA2
ECOD domains from experimental PDB structures interacting with ligand DB14128
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q6GGU4 | DB14128 | NAD | 1xag | e1xagA1 | A:167-353 |
| Q6GGU4 | DB14128 | NAD | 1xag | e1xagA2 | A:1-166 |
| Q6GGU4 | DB14128 | NAD | 1xah | e1xahA3 | A:1-167 |
| Q6GGU4 | DB14128 | NAD | 1xah | e1xahA4 | A:168-296,A:320-352 |
| Q6GGU4 | DB14128 | NAD | 1xah | e1xahB3 | B:1-167 |
| Q6GGU4 | DB14128 | NAD | 1xah | e1xahB4 | B:168-352 |
| Q6GGU4 | DB14128 | NAD | 1xaj | e1xajA3 | A:1-167 |
| Q6GGU4 | DB14128 | NAD | 1xaj | e1xajA4 | A:168-352 |
| Q6GGU4 | DB14128 | NAD | 1xaj | e1xajB3 | B:1-167 |
| Q6GGU4 | DB14128 | NAD | 1xaj | e1xajB4 | B:168-352 |
| Q6GGU4 | DB14128 | NAD | 1xal | e1xalA3 | A:1-167 |
| Q6GGU4 | DB14128 | NAD | 1xal | e1xalA4 | A:168-352 |
| Q6GGU4 | DB14128 | NAD | 1xal | e1xalB3 | B:1-167 |
| Q6GGU4 | DB14128 | NAD | 1xal | e1xalB4 | B:168-352 |