Structure of PDB 7leo Chain D Binding Site BS04

Receptor Information
>7leo Chain D (length=50) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HRFKVYNYMSPTFCDHCGSLLWGLVKQGLKCEDCGMNVHHKCREKVANLC
Ligand information
Ligand IDXZJ
InChIInChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+/t22-/m1/s1
InChIKeyXKEOGEXDEKIDNA-XROMRFNBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)CC(CC=C1CC(OC1=O)(CO)COC(=O)C(C)(C)C)CC(C)C
ACDLabs 12.01CC(C)CC(CC(C)C)C[C@H]=C1C(=O)OC(C1)(CO)COC(C(C)(C)C)=O
CACTVS 3.385CC(C)CC(C/C=C/1C[C@@](CO)(COC(=O)C(C)(C)C)OC/1=O)CC(C)C
OpenEye OEToolkits 2.0.7CC(C)CC(C/C=C/1\C[C@@](OC1=O)(CO)COC(=O)C(C)(C)C)CC(C)C
CACTVS 3.385CC(C)CC(CC=C1C[C](CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
FormulaC22 H38 O5
Name{(2R,4E)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxooxolan-2-yl}methyl 2,2-dimethylpropanoate;
AJH-836
ChEMBL
DrugBank
ZINCZINC000001659272
PDB chain7leo Chain D Residue 303 [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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PDB7leo Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y238 M239 S240 P241 T242 L251 W252 G253 L254
Binding residue
(residue number reindexed from 1)		Y8 M9 S10 P11 T12 L21 W22 G23 L24
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.13: protein kinase C.
External links
PDB RCSB:7leo, PDBe:7leo, PDBj:7leo
PDBsum7leo
PubMed35577811
UniProtP09215|KPCD_RAT Protein kinase C delta type (Gene Name=Prkcd)

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