Structure of PDB 8ii8 Chain A Binding Site BS01

Receptor Information
>8ii8 Chain A (length=225) Species: 64638 (Pleurotus salmoneostramineus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLTLSPLPPLSNDIYPIGRNSLGNLMTATEKAKELPQEDKSAAQFQATSQ
ESYKSAVSQTTKESPSASLAKFCKEAETAYPALYKAIQANDSASAKELAK
SIASKLTEVATRAGNVAQAYNQGAAKAQEGQKLMKSALPGSHPVKDSVDD
ALQYLSPAAQVFTSMQSSLNESAKNVVAAADKVGKVPANQIASEDSGEAI
ANAWAKLGVKATAQAEAYNKWQGNQ
Ligand information
Ligand IDPW6
InChIInChI=1S/C27H30O3/c1-25(26(2)28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27(29)30/h3-19,21-24H,20H2,1-2H3,(H,29,30)/b5-3+,6-4+,9-7-,10-8+,13-11+,14-12-,17-15-,18-16+,21-19+,24-22+,25-23+
InChIKeyZUWHINCAQDXMJU-JXLQPSFDSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(/C)=C/C=C/C=C\C=C\C=C/C=C/C=C/C=C/C=C\C=C\C/C=C/C(O)=O
OpenEye OEToolkits 2.0.7CC(=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC=CC(=O)O)C(=O)C
CACTVS 3.385CC(=O)C(C)=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC=CC(O)=O
OpenEye OEToolkits 2.0.7C/C(=C\C=C\C=C/C=C/C=C\C=C\C=C\C=C\C=C/C=C/CC=CC(=O)O)/C(=O)C
FormulaC27 H30 O3
Name(2E,5E,7Z,9E,11E,13E,15Z,17E,19Z,21E,23E)-24-methyl-25-oxohexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid;
Dehydro laetiporic acid
ChEMBL
DrugBank
ZINC
PDB chain8ii8 Chain A Residue 302 [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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PDB8ii8 Crystal Structure of the Native Chromoprotein from Pleurotus salmoneostramineus Provides Insights into the Pigmentation Mechanism.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		L26 M27 T49 S50 Y54 A57 T61 P66 S67 Y121 K127 E130 G131 L156 Q215 Y219 W222
Binding residue
(residue number reindexed from 1)		L25 M26 T48 S49 Y53 A56 T60 P65 S66 Y120 K126 E129 G130 L155 Q214 Y218 W221
Annotation score1
External links