Structure of PDB 4mgk Chain E Binding Site BS01

Receptor Information
>4mgk Chain E (length=627) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRMILRKPPGQRTVDDLEIIYDELLHIKALSHLSTTVKRELAGVLIFESH
AKGGTVLFNQGEEGTSWYIILKGSVNVVIYGKGVVCTLHEGDDFGQLALV
NDAPRAASIVLREDNCHFLRVDKEDFNRILRDVEANTVRLKEHDQDVLVL
EKVQKYTVMSGTPEKILEHFLETIRLEPSLNEATDSVLNDFVMMHCVFMP
NTQLCPALVAHYHAQPSQGTEQERMDYALNNKRRVIRLVLQWAAMYGDLL
QEDDVAMAFLEEFYVSVSDDARMMAAFKEQLPELEKIVRQPIRGSDEVLF
KVYCIDHTYTTIRVPVAASVKEVISAVADKLGSGEGLIIVKMNSGGEKVV
LKSNDVSVFTTLTINGRLFACPREQFDSLTPLPEQEGPTTGTVGTFELMS
SKDLAYQMTTYDWELFNCVHELELIYHTFGRHNFKKTTANLDLFLRRFNE
IQFWVVTEVCLCSQLSKRVQLLKKFIKIAAHCKEYKNLNSFFAIVMGLSN
VAVSRLALTWEKLPSKFKKFYAEFESLMDPSRNHRAYRLTAAKLEPPLIP
FMPLLIKDMTFTHEGNKTFIDNLVNFEKMRMIANTARTVRYYRSQPFNHQ
DVRSYVRQLNVIDNQRTLSQMSHRLEP
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 chain4mgk Chain E Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mgk Selective activation of Epac1 and Epac2
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F367 F403 G404 Q405 L406 A407 R414 A415 L449
Binding residue
(residue number reindexed from 1)		F58 F94 G95 Q96 L97 A98 R105 A106 L140
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005085 guanyl-nucleotide exchange factor activity
Biological Process
GO:0007264 small GTPase-mediated signal transduction

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4mgk, PDBe:4mgk, PDBj:4mgk
PDBsum4mgk
PubMed
UniProtQ9EQZ6|RPGF4_MOUSE Rap guanine nucleotide exchange factor 4 (Gene Name=Rapgef4)

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