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Structure of PDB 7yn3 Chain B Binding Site BS01

Receptor Information
>7yn3 Chain B (length=346) Species: 36816 (Streptomyces caelestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTLHAPHCEVGCAANVARRVGVDLARQVIGAHWASRMLVREVGTFPQPLL
DRTQVTFSAQGEGWPALLARMTGGEVTSRHVPREELLSTLHADRAEGGTL
LFMEDRACPWLDSAHSPGMLPHVVVPDGVAPDGSWQLIEGHSWWRGRYAM
SEQDLLAASYPDPDPHHVAGRVLSLRIRPSAERAAQLDTLARQELAAGLR
TYLAAECGETETPAGRIVWANGPQSVPLLVERLRGWDYLCPLAARNDLST
EHARDVALGRYLFLALTDELAFAAYARAGTLRLVEGLGLAGAVGGLRPDE
AWRLAWRSGQKLYRRLDRQNLSALFSALEKAAEVDVEYARRLLKEL
Ligand information
Ligand ID1N2
InChIInChI=1S/C10H12N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-6H2
InChIKeyZFMTZVFTWHQGNQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1CCC(N1CCN2C(=O)CCC2=O)=O
CACTVS 3.385O=C1CCC(=O)N1CCN2C(=O)CCC2=O
OpenEye OEToolkits 1.9.2C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O
FormulaC10 H12 N2 O4
Name1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione
ChEMBL
DrugBank
ZINCZINC000138455635
PDB chain7yn3 Chain B Residue 401 [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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PDB7yn3 Crystal structure of CcbD complex with carrier protein
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C17 H131 W153
Binding residue
(residue number reindexed from 1)		C8 H122 W144
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links

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