Structure of PDB 4cyj Chain B Binding Site BS01

Receptor Information
>4cyj Chain B (length=412) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELQPWQRATYDFFMPQNLREDLQKKQFATLQVIPNSGLPQLEHWHSLVPL
DTSSCFGYPSWVYKAQNSRNGRHYALRRLEGYRLTNEKAILNVMKDWKKI
KNASIVTIHEVFTTREFGDSSLIFAYDFHPLSKTLQEHHFQPYRPPPAVP
ENTIWGYICQIANALKTIHSNRLAARCLEPSKIILTDINRIRLSACAILD
VVQFGMNSRSVVELQQEDFVKFGKLILSLATGTLPAHLNNIPAALETLGN
KYSANLKSAVNWLLDTSSGETKTIEHFMTGIASQMTTFFDLALQDNDEKL
FHLAREVENGRIARSLMKLLTILERGDVPSWSETGDRYQLKLFRDYVFHR
VDADGKPNLSIGHMLTCMSKLEAGVDENILLTSRDNETVFVLSYRELRQM
YDRAFNELVKAS
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 chain4cyj Chain B Residue 900 [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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PDB4cyj Structural Basis for Pan3 Binding to Pan2 and its Function in Mrna Recruitment and Deadenylation
Resolution2.59 Å
Binding residue
(original residue number in PDB)		S265 R288 H340 S343 E348 S397 K398
Binding residue
(residue number reindexed from 1)		S54 R77 H129 S132 E137 S181 K182
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0000289 nuclear-transcribed mRNA poly(A) tail shortening
GO:0006397 mRNA processing
GO:0006468 protein phosphorylation
Cellular Component
GO:0031251 PAN complex

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4cyj, PDBe:4cyj, PDBj:4cyj
PDBsum4cyj
PubMed24872509
UniProtG0S0Y3|PAN3_CHATD PAN2-PAN3 deadenylation complex subunit PAN3 (Gene Name=PAN3)

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