Structure of PDB 5y7t Chain B Binding Site BS02

Receptor Information
>5y7t Chain B (length=287) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQIPRLSAINDLHKIWPTVEEHGAAIIESFLSLDIVRRLNEEVDPFVKIE
PIPAAKTKDHPNHVLSTTTRLVNVLAPISKAYREDVLNSKVLHRICSDAF
HVYGDYWVLMGAVMELAPSNPAQPLHRDMRFSHPIVEYLKPDAPATSINF
LVALSPFTAENGATHVILGSHKWQNLSNVSMDATVRALMNPGDALLITDS
TIHCGGAETTGTETRRLLTITMGISQLTPLESNLAVPRPVIESLTPLAQR
LLGWASQRSAAPRDIGLLTIRGNSIEKTMNLKAEQPL
Ligand information
Ligand ID8R0
InChIInChI=1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyKSQNKZMAMGACTL-OAHLLOKOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1[CH](Cc2ccccc2)C(=O)Nc3ccccc3C1=O
OpenEye OEToolkits 2.0.6CN1[C@@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3
OpenEye OEToolkits 2.0.6CN1C(C(=O)Nc2ccccc2C1=O)Cc3ccccc3
CACTVS 3.385CN1[C@H](Cc2ccccc2)C(=O)Nc3ccccc3C1=O
FormulaC17 H16 N2 O2
Name(3R)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
ChEMBL
DrugBank
ZINCZINC000013429859
PDB chain5y7t Chain B Residue 402 [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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PDB5y7t Insights into the Desaturation of Cyclopeptin and its C3 Epimer Catalyzed by a non-Heme Iron Enzyme: Structural Characterization and Mechanism Elucidation.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		V72 L73 L79 M118 H134 D136 F139
Binding residue
(residue number reindexed from 1)		V64 L65 L71 M110 H126 D128 F131
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.81: (-)-cyclopenine synthase.
External links
PDB RCSB:5y7t, PDBe:5y7t, PDBj:5y7t
PDBsum5y7t
PubMed29314482
UniProtQ5AR53|ASQJ_EMENI Iron/alpha-ketoglutarate-dependent dioxygenase asqJ (Gene Name=asqJ)

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