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Attributes

UniProt ID
Q5SIY4
Protein Name
3-isopropylmalate dehydrogenase
Ligand Name
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
DrugBank ID
DB14128
PDB Ligand Accession
NAD
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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Mol*
Structure: 1HEX
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Color Legend
Unassigned regionsLigand / hetero atomse1hexA1e1hexA2
ECOD domains from experimental PDB structures interacting with ligand DB14128
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q5SIY4DB14128NAD1hexe1hexA1A:1-99,A:252-345
Q5SIY4DB14128NAD2y42e2y42A1A:0-99,A:252-346
Q5SIY4DB14128NAD2y42e2y42B2B:1-99,B:252-350
Q5SIY4DB14128NAD2y42e2y42C1C:0-99,C:252-351
Q5SIY4DB14128NAD2y42e2y42D1D:0-99,D:252-354
Q5SIY4DB14128NAD2ztwe2ztwA2A:1-99,A:252-345
Q5SIY4DB14128NAD4f7ie4f7iA1A:100-251
Q5SIY4DB14128NAD4f7ie4f7iA2A:0-99,A:252-349
Q5SIY4DB14128NAD4f7ie4f7iB1B:100-251
Q5SIY4DB14128NAD4f7ie4f7iB2B:0-99,B:252-349
Q5SIY4DB14128NAD4f7ie4f7iC1C:100-251
Q5SIY4DB14128NAD4f7ie4f7iC2C:0-99,C:252-347
Q5SIY4DB14128NAD4f7ie4f7iD1D:100-251
Q5SIY4DB14128NAD4f7ie4f7iD2D:0-99,D:252-348
Q5SIY4DB14128NAD4wuoe4wuoA1A:100-251
Q5SIY4DB14128NAD4wuoe4wuoA2A:-1-99,A:252-347
Q5SIY4DB14128NAD4wuoe4wuoB1B:100-251
Q5SIY4DB14128NAD4wuoe4wuoB2B:1-99,B:252-345