Structure of PDB 1nrj Chain B Binding Site BS03

Receptor Information
>1nrj Chain B (length=191) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYQPSIIIAGPQNSGKTSLLTLLTTDSVRPTVVSQEPLSAADYDGSGVTL
VDFPGHVKLRYKLSDYLKTRAKFVKGLIFMVDSTVDPKKLTTTAEFLVDI
LSITESSCENGIDILIACNKSELFTARPPSKIKDALESEIQKVIERRKKS
LNELDVLGFKFANLEASVVAFEGSINKRKISQWREWIDEKL
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain1nrj Chain B Residue 1001 [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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PDB1nrj Structural Basis for the Function of the beta Subunit of the Eukaryotic Signal Recognition Particle Receptor
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Q47 N48 S49 G50 K51 T52 S53 T66 S69 G90 N154 K155 E157 L158 I228 N229
Binding residue
(residue number reindexed from 1)		Q12 N13 S14 G15 K16 T17 S18 T31 S34 G55 N119 K120 E122 L123 I175 N176
Annotation score4
Binding affinityMOAD: Kd=38nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1nrj, PDBe:1nrj, PDBj:1nrj
PDBsum1nrj
PubMed12654246
UniProtP36057|SRPB_YEAST Signal recognition particle receptor subunit beta (Gene Name=SRP102)

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