Structure of PDB 7lcb Chain A Binding Site BS03

Receptor Information

>7lcb Chain A (length=52) Species: 10116 (Rattus norvegicus)

MPHRFKVYNYMSPTFCDHCGSLLWGLVKQGLKCEDCGMNVHHKCREKVAN
LC

Ligand information

• Ligand ID: XYV
• InChI: InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16-,17-,20-,21+,22-/m1/s1
• InChIKey: BOJKFRKNLSCGHY-HXGSDTCMSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C
  CACTVS 3.385: C[CH]1C[C]2(OC(C)=O)[CH]([CH]3C=C(CO)C[C]4(O)[CH](C=C(C)C4=O)[C]13O)C2(C)C
  OpenEye OEToolkits 2.0.7: C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C
  ACDLabs 12.01: C12(C4C(CC(CO)=CC1C3C(CC2C)(C3(C)C)OC(=O)C)(C(C(=C4)C)=O)O)O
  CACTVS 3.385: C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
• Formula: C22 H30 O6
• Name: prostratin;
  12-deoxyphorbol-13-acetate;
  (1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate
• ChEMBL: CHEMBL170518
• ZINC: ZINC000003915682
• PDB chain: 7lcb Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7lcb Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): M239 S240 P241 T242 L250 L251 W252 G253 Q257
• Binding residue (residue number reindexed from 1): M11 S12 P13 T14 L22 L23 W24 G25 Q29
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.11.13: protein kinase C.

External links

• PDB: RCSB:7lcb, PDBe:7lcb, PDBj:7lcb
• PDBsum: 7lcb
• PubMed: 35577811
• UniProt: P09215|KPCD_RAT Protein kinase C delta type (Gene Name=Prkcd)