Structure of PDB 6h4g Chain A Binding Site BS01

Receptor Information
>6h4g Chain A (length=274) Species: 185431 (Trypanosoma brucei brucei TREU927) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKSYVAPYFEKSEDETALILKLLTYNVLFSFLDSRDLMTVAGAMWRVEFK
QDDCIMEAGQTTCDKLYIIQDGKADIIKEGQKVYLKVEGTAVGELALMYQ
TPRAATVKVCTPELIAWALDRDTYRHLVMGSAIRRRETYIQFLTNIPFLS
GLDNYEKLQLADALSSDEFEPGDYIIRYGEEGEWLYIILEGSVDVVGRDD
DGNEKHVWEFGKGDHVGELEFLNNHANVADVVAKTHVVTAKLNRRHFEMC
LGPVIDVLKRTSQQPNYEYYQSKL
Ligand information
Ligand IDCMP
InChIInChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyIVOMOUWHDPKRLL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
ACDLabs 10.04O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
FormulaC10 H12 N5 O6 P
NameADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP
ChEMBLCHEMBL316966
DrugBankDB02527
ZINCZINC000003873977
PDB chain6h4g Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		M271 I291 Y299 V307 G308 E309 L310 A311 R318 A319 A320 V322 Y370
Binding residue
(residue number reindexed from 1)		M56 I76 Y84 V92 G93 E94 L95 A96 R103 A104 A105 V107 Y155
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6h4g, PDBe:6h4g, PDBj:6h4g
PDBsum6h4g
PubMed38517938
UniProtQ385V6

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