Structure of PDB 6h7e Chain B Binding Site BS01

Receptor Information
>6h7e Chain B (length=248) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STERVLRAGRQLHRHLLATCPNLIRDRKYHLRLYRQCCSGRELVDGILAL
GHSRSQVVGICQVLLDEGALCHVKHDWAFQDRDAQFYRFPGPEPEPVEME
EELAEAVALLSQRGPDALLTVALRKPPGQRTDEELDLIFEELLHIKAVAH
LSNSVKRELAAVLLFEPHSKAGTVLFSQGDKGTSWYIIWKGSVNVVTHGK
GLVTTLHEGDDFGQLALVNDAPRAATIILREDNCHFLRVDKQDFNRII
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 chain6h7e Chain B Residue 401 [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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PDB6h7e GEF regulatory domain
Resolution2.3 Å
Binding residue
(original residue number in PDB)		V251 V259 G269 Q270 L271 A272 R279 A280
Binding residue
(residue number reindexed from 1)		V195 V203 G213 Q214 L215 A216 R223 A224
Annotation score4
Binding affinityBindingDB: Kd=4500nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0035556 intracellular signal transduction

View graph for
Biological Process
External links
PDB RCSB:6h7e, PDBe:6h7e, PDBj:6h7e
PDBsum6h7e
PubMed37438343
UniProtO95398|RPGF3_HUMAN Rap guanine nucleotide exchange factor 3 (Gene Name=RAPGEF3)

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