Structure of PDB 8w8e Chain a Binding Site BS01

Receptor Information
>8w8e Chain a (length=506) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIPPRWLNCPRRGQPVAGRFLPLKTMLGPRYDSQVAEENRFHPSMLSNYL
KSLKVKMGLLVDLTNTSRFYDRNDIEKEGIKYIKLQCKGHGECPTTENTE
TFIRLCERFPELIGVHCTHGFNRTGFLICAFLVEKMDWSIEAAVATFAQA
RPPGIYKGDYLKELFRRYGDIEEAPPPPLLPDWCFEDDEGAIFLEGVTVK
GVTQVTTQPKLGEVQQKCHQFCGWEGSGFPGAQPVSMDKQNIKLLDLKPY
KVSWKADGTRYMMLIDGTNEVFMIDRDNSVFHVSNLEFPFRKDLRMHLSN
TLLDGEMIIDRVNGQAVPRYLIYDIIKFNSQPVGDCDFNVRLQCIEREII
SPRHEKMKTGLIDKTQEPFSVRNKPFFDICTSRKLLEHEMDGLIFQPTGK
YKPGRCDDILKWKPPSLNSVDFRLKITRMGGEGLLPQNVGLLYVGGYERP
FAQIKVTKELKQYDNKIIECKFENNSWVFMRQRTDKSFPNAYNTAMAVCN
SISNPV
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 chain8w8e Chain P Residue 101 [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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PDB8w8e Strcutures of co-transcriptional RNA capping enzymes on paused transcription complex
Resolution3.9 Å
Binding residue
(original residue number in PDB)		N69 T70 R72
Binding residue
(residue number reindexed from 1)		N65 T66 R68
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.50: mRNA guanylyltransferase.
3.6.1.74: mRNA 5'-phosphatase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004484 mRNA guanylyltransferase activity
GO:0004651 polynucleotide 5'-phosphatase activity
GO:0004721 phosphoprotein phosphatase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0008192 RNA guanylyltransferase activity
GO:0016779 nucleotidyltransferase activity
GO:0050355 inorganic triphosphate phosphatase activity
GO:0140818 mRNA 5'-triphosphate monophosphatase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006370 7-methylguanosine mRNA capping
GO:0006396 RNA processing
GO:0006470 protein dephosphorylation
GO:0016311 dephosphorylation
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8w8e, PDBe:8w8e, PDBj:8w8e
PDBsum8w8e
PubMed38816438
UniProtO60942|MCE1_HUMAN mRNA-capping enzyme (Gene Name=RNGTT)

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