Structure of PDB 7q34 Chain A Binding Site BS01

Receptor Information
>7q34 Chain A (length=101) Species: 1360 (Lactococcus lactis subsp. lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKEMLRAQTNVILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATLYTIF
DRLEQDGIISSYAGDEGGRRKYYRLTEIGHENMRLAFESWSRVDKIIENL
E
Ligand information
Ligand ID8TF
InChIInChI=1S/C30H34N2O2/c1-7-31-23-15-11-9-13-21(23)29(3,4)25(31)17-19-27(33)20(28(19)34)18-26-30(5,6)22-14-10-12-16-24(22)32(26)8-2/h9-20H,7-8H2,1-6H3/b25-17+,26-18+/t19-,20-
InChIKeyRFXRJJSGFNDERY-FAKNRSBRSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCN\1c2ccccc2C(C)(C)C\1=C\[C@@H]3C(=O)[C@@H](\C=C/4N(CC)c5ccccc5C/4(C)C)C3=O
OpenEye OEToolkits 2.0.7CCN1c2ccccc2C(C1=CC3C(=O)C(C3=O)C=C4C(c5ccccc5N4CC)(C)C)(C)C
CACTVS 3.385CCN1c2ccccc2C(C)(C)C1=C[CH]3C(=O)[CH](C=C4N(CC)c5ccccc5C4(C)C)C3=O
OpenEye OEToolkits 2.0.7CCN1/C(=C/C2C(=O)C(C2=O)/C=C\3/N(c4c(cccc4)C3(C)C)CC)/C(c5c1cccc5)(C)C
FormulaC30 H34 N2 O2
Name2,4-bis[(E)-(1-ethyl-3,3-dimethyl-indol-2-ylidene)methyl]cyclobutane-1,3-dione;
Dye with squaraine-scaffold
ChEMBL
DrugBank
ZINC
PDB chain7q34 Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q34 Designing Artificial Fluorescent Proteins: Squaraine-LmrR Biophosphors for High Performance Deep-Red Biohybrid Light-Emitting Diodes
Resolution2.6 Å
Binding residue
(original residue number in PDB)		M8 W96 D100
Binding residue
(residue number reindexed from 1)		M4 W90 D94
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links