Structure of PDB 3h39 Chain A Binding Site BS01

Receptor Information
>3h39 Chain A (length=415) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQIFRDVSKLLVERVDPKILNLFRLLGKFGDEVNMPVYVVGGFVRDLLLG
IKNLDIDIVVEGNALEFAEYAKRFLPGKLVKHDKFMTASLFLKGGLRIDI
ATARLDVEMSTIKKDLYRRDFTINAMAIKLNPKDFGLLIDFFGGYRDLKE
GVIRVLHTLSFVDDPTRILRAIRFEQRFDFRIEETTERLLKQAVEEGYLE
RTTGPRLRQELEKILEEKNPLKSIRRMAQFDVIKHLFPKTYYTPSMDEKM
ENLFRNIPWVEENFGEVDRFYAVLHVFLEFYDDESWKEVRDRYSLRRNLI
NEIRHVEKSAPALLEMLSERVPASFVYPLVKGVSNETICHFLAYLSGEKE
GLFKSYLLKIKNTKLEKINGEYLIRKGITSGKIIGEVLEKILMKKLDGDT
RDEEEILEEVLASLE
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 chain3h39 Chain A Residue 501 [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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PDB3h39 Mechanism for the definition of elongation and termination by the class II CCA-adding enzyme
Resolution2.854 Å
Binding residue
(original residue number in PDB)		G41 G42 R45 R129 D130 N134 R177 R180 R183 R187
Binding residue
(residue number reindexed from 1)		G41 G42 R45 R119 D120 N124 R167 R170 R173 R177
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.25: Transferred entry: 2.7.7.72.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0016779 nucleotidyltransferase activity
Biological Process
GO:0006396 RNA processing

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3h39, PDBe:3h39, PDBj:3h39
PDBsum3h39
PubMed19745807
UniProtQ9WZH4

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