Structure of PDB 8ppl Chain It Binding Site BS02

Receptor Information
>8ppl Chain It (length=451) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPHLSRQDLTTLDVTKLTPLSHEVISRQATINIGTIGHVAHGKSTVVKAI
SGVHTVRFKNELERNITIKLGYANAKIYKLDDPSCPRPECYRSCGSSTPD
EFPTDIPGTKGNFKLVRHVSFVDCPGHDILMATMLNGAAVMDAALLLIAG
NESCPQPQTSEHLAAIEIMKLKHILILQNKIDLVKESQAKEQYEQILAFV
QGTVAEGAPIIPISAQLKYNIEVVCEYIVKKIPVPPRDFTSEPRLIVIRS
FDVNKPGCEVDDLKGGVAGGSILKGVLKVGQEIEVRPGIVSKDSEGKLMC
KPIFSKIVSLFAEHNDLQYAAPGGLIGVGTKIDPTLCRADRMVGQVLGAV
GALPEIFTELEISYFLLRRLLGVRAKVQKLSKNEVLMVNIGSLSTGGRVS
AVKADLGKIVLTNPVCTEVGEKIALSRRVEKHWRLIGWGQIRRGVTIKPT
V
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 chain8ppl Chain It Residue 1000 [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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PDB8ppl Universal features of Nsp1-mediated translational shutdown by coronaviruses.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		V50 A51 H52 G53 K54 S55 T56 I77 T78 G137 N190 K191 D193 Q227
Binding residue
(residue number reindexed from 1)		V39 A40 H41 G42 K43 S44 T45 I66 T67 G126 N179 K180 D182 Q216
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.3: protein-synthesizing GTPase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0003743 translation initiation factor activity
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0008135 translation factor activity, RNA binding
GO:0016787 hydrolase activity
GO:0045296 cadherin binding
GO:1990856 methionyl-initiator methionine tRNA binding
Biological Process
GO:0001731 formation of translation preinitiation complex
GO:0002183 cytoplasmic translational initiation
GO:0006412 translation
GO:0006413 translational initiation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005850 eukaryotic translation initiation factor 2 complex
GO:0070062 extracellular exosome

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ppl, PDBe:8ppl, PDBj:8ppl
PDBsum8ppl
PubMed37802027
UniProtP41091|IF2G_HUMAN Eukaryotic translation initiation factor 2 subunit 3 (Gene Name=EIF2S3)

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