Structure of PDB 4c0b Chain B Binding Site BS01

Receptor Information
>4c0b Chain B (length=430) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITGDNEWHKLVIPKGSDWQIDLKAEGKLIVKVNSGIVEIFGTELAVDDEY
TFQNWKFPIYAVEETELLWKCPDLTTNTITVKPNHTMKYIYNLHFMLEKI
RMSNFEGPRVVIVGGSQTGKTSLSRTLCSYALKFNAYQPLYINLDPQQPI
FTVPGCISATPISDILDAQLPTWGQSLTSGATLLHNKQPMVKNFGLERIN
ENKDLYLECISQLGQVVGQRLHLDPQVRRSGCIVDTPSISQLDENLAELH
HIIEKLNVNIMLVLCSETDPLWEKVKKTFGPELGNNNIFFIPKLDGVSAV
DDVYKRSLQRTSIREYFYGSLDTALSPYAIGVDYEDLTIWKPSNVFDNEV
GRVELFPVTITPSNLQHAIIAITFAERRADQATVIKSPILGFALITEVNE
KRRKLRVLLPVPGRLPSKAMILTSYRYLEQ
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[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
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain4c0b Chain B Residue 1447 [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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PDB4c0b Structural basis for ATP loss by Clp1p in a G135R mutant protein.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		D33 Q35 K72 P74 Q133 G135 K136 T137 S138 G312 V313 S314
Binding residue
(residue number reindexed from 1)		D17 Q19 K56 P58 Q117 G119 K120 T121 S122 G296 V297 S298
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0051731 polynucleotide 5'-hydroxyl-kinase activity
Biological Process
GO:0006388 tRNA splicing, via endonucleolytic cleavage and ligation
GO:0006396 RNA processing
GO:0006397 mRNA processing
GO:0031124 mRNA 3'-end processing
Cellular Component
GO:0005634 nucleus
GO:0005849 mRNA cleavage factor complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4c0b, PDBe:4c0b, PDBj:4c0b
PDBsum4c0b
PubMed24508575
UniProtQ08685|CLP1_YEAST mRNA cleavage and polyadenylation factor CLP1 (Gene Name=CLP1)

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