Structure of PDB 7pjk Chain B Binding Site BS02

Receptor Information
>7pjk Chain B (length=105) Species: 431944 (Magnetospirillum gryphiswaldense MSR-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLR
LIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRL
AEGPA
Ligand information
Ligand ID7SE
InChIInChI=1S/C11H10N4O2/c16-10-6-5-9(11(17)12-10)15-13-7-3-1-2-4-8(7)14-15/h1-4,9H,5-6H2,(H,12,16,17)/t9-/m0/s1
InChIKeyQFGWCBAWFMYBCK-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nn(n2)[C@H]3CCC(=O)NC3=O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nn(n2)C3CCC(=O)NC3=O
CACTVS 3.385O=C1CC[C@H](n2nc3ccccc3n2)C(=O)N1
FormulaC11 H10 N4 O2
Name(3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione
ChEMBL
DrugBank
ZINC
PDB chain7pjk Chain B Residue 202 [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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PDB7pjk Replacing the phthalimide core in thalidomide with benzotriazole.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		N50 P51 F77 S78 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)		N32 P33 F59 S60 W61 W67 W81 Y83
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7pjk, PDBe:7pjk, PDBj:7pjk
PDBsum7pjk
PubMed35220840
UniProtA4TVL0

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