Structure of PDB 8e8v Chain B Binding Site BS01

Receptor Information
>8e8v Chain B (length=406) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVLAVRREDVNAWERRAPLAPKHIKGITNLGYKVLIQPSNRRAIHDKDYV
KAGGILQEDISEACLILGVKRPPEEKLMSRKTYAFFSLDEILKQEIRLID
YEKMVDHRGVRVVAFGQWAGVAGMINILHGMGLRLLALGHHTPFMHIGMA
HNYRNSSQAVQAVRDAGYEISLGLMPKSIGPLTFVFTGTGNVSKGAQAIF
NELPCEYVEPHELKEVSQTGDLRKVYGTVLSRHHHLVRKTDAVYDPAEYD
KHPERYISRFNTDIAPYTTCLINGIYWEQNTPRLLTRQDAQSLLAEGCPA
LPHKLVAICDISADTGGSIEFMTECTTIEHPFCMYDADQHIIHDSVEGSG
ILMCSIDNLPAQLPIEATECFGDMLYPYVEEMILSDATQPLESQNFSPVV
RDAVIT
Ligand information
Ligand IDNEN
InChIInChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
InChIKeyGHAZCVNUKKZTLG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCN1C(=O)CCC1=O
ACDLabs 10.04O=C1N(C(=O)CC1)CC
FormulaC6 H9 N O2
Name1-ETHYL-PYRROLIDINE-2,5-DIONE
ChEMBL
DrugBankDB01902
ZINCZINC000001670837
PDB chain8e8v Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8e8v Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		C414 M418
Binding residue
(residue number reindexed from 1)		C370 M374
Annotation score1
Enzymatic activity
Enzyme Commision number 1.5.1.8: saccharopine dehydrogenase (NADP(+), L-lysine-forming).
1.5.1.9: saccharopine dehydrogenase (NAD(+), L-glutamate-forming).
External links
PDB RCSB:8e8v, PDBe:8e8v, PDBj:8e8v
PDBsum8e8v
PubMed36128717
UniProtQ9UDR5|AASS_HUMAN Alpha-aminoadipic semialdehyde synthase, mitochondrial (Gene Name=AASS)

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