Structure of PDB 6r0q Chain A Binding Site BS04

Receptor Information
>6r0q Chain A (length=107) Species: 431944 (Magnetospirillum gryphiswaldense MSR-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPHGYIHRVWCFSLAQGL
NLIGRPSGEFSWFKGYDWTVAQCGQCGSHLGWHYEGGSQPQTFFGLIKDR
LAEGPAD
Ligand information
Ligand IDJNW
InChIInChI=1S/C13H12N2O5/c16-10-6-5-9(12(18)15-10)14-11(17)7-3-1-2-4-8(7)13(19)20/h1-4,9H,5-6H2,(H,14,17)(H,19,20)(H,15,16,18)/t9-/m0/s1
InChIKeyQTUSGYNZYGYXIN-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccccc1C(=O)N[C@H]2CCC(=O)NC2=O
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O
CACTVS 3.385OC(=O)c1ccccc1C(=O)N[CH]2CCC(=O)NC2=O
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)NC2CCC(=O)NC2=O)C(=O)O
FormulaC13 H12 N2 O5
Name2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid
ChEMBL
DrugBank
ZINC
PDB chain6r0q 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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PDB6r0q De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		C93 G94
Binding residue
(residue number reindexed from 1)		C76 G77
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:6r0q, PDBe:6r0q, PDBj:6r0q
PDBsum6r0q
PubMed31251063
UniProtA4TVL0

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