Structure of PDB 7knj Chain A Binding Site BS01

Receptor Information
>7knj 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 chain7knj Chain A Residue 301 [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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PDB7knj Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		G253 L254 V255 K256 H270
Binding residue
(residue number reindexed from 1)		G25 L26 V27 K28 H42
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.13: protein kinase C.
External links
PDB RCSB:7knj, PDBe:7knj, PDBj:7knj
PDBsum7knj
PubMed35577811
UniProtP09215|KPCD_RAT Protein kinase C delta type (Gene Name=Prkcd)

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