Structure of PDB 3d45 Chain A Binding Site BS01

Receptor Information
>3d45 Chain A (length=383) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPMEIIRSNFKINLHKVYQAIEEADFFAIDGEFSGISDSGFDTPEERYQK
LKKHSMDFLLFQFGLCAFKYDHTDSKHVTKSFNFYVFPKPFSRSSPDVKF
VCQSSSIDFLASQGFDFNKVFCSGIPYLNQEEERQLREQFDEYTKEQEEL
NDAVGFSRVIHAIANSGKLVVGHNMLLDVMHTIHQFYCPLPADLNEFKEM
AICVFPRLLDTKLMASTQPFKDIINNTSLAELEKRLKETPFDPPKVESAE
GFPSYDQLHEAGYDAYITGLCFISMANYLGSSARSKLIEPFFNKLFLMRV
MDIPYLNLEGPDLQPKRDHVLHVTFPKEWKTSDLYQLFSAFGNIQISWID
DTSAFVSLSQPEQVQIAVNTSKYAESYRIQTYA
Ligand information
Ligand ID7MG
InChIInChI=1S/C11H18N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1
InChIKeyZMWJGXGSWZFZPJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
CACTVS 3.341CN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.341CN1CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)N
ACDLabs 10.04O=C1C=2N(CN(C=2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O)C
FormulaC11 H18 N5 O8 P
Name7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE
ChEMBL
DrugBankDB04259
ZINCZINC000013543160
PDB chain3d45 Chain A Residue 651 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3d45 Structural basis of m(7)GpppG binding to poly(A)-specific ribonuclease.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K319 N333 W449 W468 D470 D471
Binding residue
(residue number reindexed from 1)		K212 N226 W329 W348 D350 D351
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.68,Kd=2.1uM
Enzymatic activity
Enzyme Commision number 3.1.13.4: poly(A)-specific ribonuclease.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0004535 poly(A)-specific ribonuclease activity
GO:0046872 metal ion binding
Biological Process
GO:0006402 mRNA catabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3d45, PDBe:3d45, PDBj:3d45
PDBsum3d45
PubMed19217398
UniProtQ8VDG3|PARN_MOUSE Poly(A)-specific ribonuclease PARN (Gene Name=Parn)

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