Structure of PDB 4ofg Chain A Binding Site BS03

Receptor Information
>4ofg Chain A (length=142) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DASIDYNNKKSIIKKMYIFRYLTDKQCNLLIEAFRTTRYEEGDYIIQEGE
VGSRFYIIKNGEVEIVKNKKRLRTLGKNDYFGERALLYDEPRTASVISKV
NNVECWFVDKSVFLQIIQGPMLAHLEERIKMQDTKVEMDELE
Ligand information
Ligand IDN2P
InChIInChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
InChIKeyVHRGRCVQAFMJIZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		NCCCCCN
OpenEye OEToolkits 1.5.0C(CCN)CCN
FormulaC5 H14 N2
NamePENTANE-1,5-DIAMINE
ChEMBLCHEMBL119296
DrugBankDB03854
ZINCZINC000001529253
PDB chain4ofg Chain A Residue 604 [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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PDB4ofg Crystal Structures of the Carboxyl cGMP Binding Domain of the Plasmodium falciparum cGMP-dependent Protein Kinase Reveal a Novel Capping Triad Crucial for Merozoite Egress.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A402 D405 E432
Binding residue
(residue number reindexed from 1)		A2 D5 E32
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.12: cGMP-dependent protein kinase.
External links
PDB RCSB:4ofg, PDBe:4ofg, PDBj:4ofg
PDBsum4ofg
PubMed25646845
UniProtQ8I719|KGP_PLAF7 cGMP-dependent protein kinase (Gene Name=PKG)

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