Structure of PDB 7ko6 Chain A Binding Site BS04

Receptor Information
>7ko6 Chain A (length=52) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPHRFKVYNYMSPTFCDHCGSLLWGLVKQGLKCEDCGMNVHHKCREKVAN
LC
Ligand information
Ligand IDXP5
InChIInChI=1S/C22H44NO8P/c1-6-8-10-12-14-21(24)28-18-20(31-22(25)15-13-11-9-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/p+1/t20-/m1/s1
InChIKeyRBFSPQDASPEAID-HXUWFJFHSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC
CACTVS 3.341CCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCC
OpenEye OEToolkits 1.5.0CCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC
CACTVS 3.341CCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC
FormulaC22 H45 N O8 P
Name(4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide
ChEMBL
DrugBank
ZINCZINC000013544783
PDB chain7ko6 Chain A Residue 304 [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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PDB7ko6 Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y236 N237 Y238 M239 K260
Binding residue
(residue number reindexed from 1)		Y8 N9 Y10 M11 K32
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.13: protein kinase C.
External links
PDB RCSB:7ko6, PDBe:7ko6, PDBj:7ko6
PDBsum7ko6
PubMed35577811
UniProtP09215|KPCD_RAT Protein kinase C delta type (Gene Name=Prkcd)

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