Structure of PDB 6hyi Chain B Binding Site BS01

Receptor Information
>6hyi Chain B (length=289) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPEKAKLYQAPYFEKSEDEMNLITKLLTHNVLFSFLNTKDIKVVAGAMQR
ATFKHDDCIMEAGQTTCNKLYIIQSGHADIIKEGQKVYLKTEGTAVGELE
LMYDTPVVATVKVCTDELIAWVLDRDTYRNLVMGTAIRRRETYIQFLANV
PFLGGLDSYEKLQLADALSSEEFSPGEYIIHYGEEGEWLYIIMEGTVEVI
GRDADGEPTKVCEFTQGDHIGELEFLNNHRTVADVVATTHVITAKLNRRH
FEMCLGPVIDVLKRCADDPKYEYYQNVLKTGAAQPSYVD
Ligand information
Ligand IDNOS
InChIInChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChIKeyUGQMRVRMYYASKQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 2.0.6c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=O
OpenEye OEToolkits 2.0.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O
FormulaC10 H12 N4 O5
NameINOSINE
ChEMBLCHEMBL1556
DrugBankDB04335
ZINCZINC000008855117
PDB chain6hyi Chain B Residue 601 [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]
PDB6hyi Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.09 A resolution
Resolution1.39945 Å
Binding residue
(original residue number in PDB)		I292 K294 Y300 G309 E310 L311 E312 A321 Y371
Binding residue
(residue number reindexed from 1)		I80 K82 Y88 G97 E98 L99 E100 A109 Y159
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008603 cAMP-dependent protein kinase regulator activity
Biological Process
GO:0001932 regulation of protein phosphorylation
Cellular Component
GO:0005952 cAMP-dependent protein kinase complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6hyi, PDBe:6hyi, PDBj:6hyi
PDBsum6hyi
PubMed38517938
UniProtQ86RB0

[Back to BioLiP]