Structure of PDB 3gpe Chain A Binding Site BS04

Receptor Information
>3gpe Chain A (length=137) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEKRGRIYLKAEVTDEKLHVTVRDAKNLIPMDPNGLSDPYVKLKLIPDPK
NESKQKTKTIRSTLNPQWNESFTFKLKPSDKDRRLSVEIWDWDRTTRNDF
MGSLSFGVSELMKMPASGWYKLLNQEEGEYYNVPIPE
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3gpe Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3gpe Structural and mechanistic insights into the association of PKCalpha-C2 domain to PtdIns(4,5)P2.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D193 W247 D248 R249
Binding residue
(residue number reindexed from 1)		D38 W92 D93 R94
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.13: protein kinase C.
External links
PDB RCSB:3gpe, PDBe:3gpe, PDBj:3gpe
PDBsum3gpe
PubMed19346474
UniProtP05696|KPCA_RAT Protein kinase C alpha type (Gene Name=Prkca)

[Back to BioLiP]