Structure of PDB 6h4g Chain B Binding Site BS02

Receptor Information
>6h4g Chain B (length=272) Species: 185431 (Trypanosoma brucei brucei TREU927) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YVAPYFEKSEDETALILKLLTYNVLFSFLDSRDLMTVAGAMWRVEFKQDD
CIMEAGQTTCDKLYIIQDGKADIIKEGQKVYLKVEGTAVGELALMYQTPR
AATVKVCTPELIAWALDRDTYRHLVMGSAIRRRETYIQFLTNIPFLSGLD
NYEKLQLADALSSDEFEPGDYIIRYGEEGEWLYIILEGSVDVVGRDDDGN
EKHVWEFGKGDHVGELEFLNNHANVADVVAKTHVVTAKLNRRHFEMCLGP
VIDVLKRTSQQPNYEYYQSKLK
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 chain6h4g Chain B Residue 502 [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]
PDB6h4g Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma brucei: E311A, T318R, V319A mutant
Resolution2.14352 Å
Binding residue
(original residue number in PDB)		V410 V422 F425 V431 G432 L434 E435 V443 A444 N481 Y482 Y484 Y485
Binding residue
(residue number reindexed from 1)		V192 V204 F207 V213 G214 L216 E217 V225 A226 N263 Y264 Y266 Y267
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:6h4g, PDBe:6h4g, PDBj:6h4g
PDBsum6h4g
PubMed38517938
UniProtQ385V6

[Back to BioLiP]