Structure of PDB 3h3a Chain B Binding Site BS01

Receptor Information
>3h3a Chain B (length=418) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQIFRDVSKLLVERVDPKILNLFRLLGKFGDEVNMPVYVVGGFVRDLLLG
IKNLDIDIVVEGNALEFAEYAKRFLPGKLVKHDKFMTASLFLKGGLRIDI
ATARLEPDVEMSTIKKDLYRRDFTINAMAIKLNPKDFGLLIDFFGGYRDL
KEGVIRVLHTLSFVDDPTRILRAIRFEQRFDFRIEETTERLLKQAVEEGY
LERTTGPRLRQELEKILEEKNPLKSIRRMAQFDVIKHLFPKTYYTPSMDE
KMENLFRNIPWVEENFGEVDRFYAVLHVFLEFYDDESWKEVRDRYSLRRN
LINEIRHVEKSAPALLEMLSERVPASFVYPLVKGVSNETICHFLAYLSGE
KEGLFKSYLLKIKNTKLEKINGEYLIRKGITSGKIIGEVLEKILMKKLDG
DTRDEEEILEEVLASLET
Ligand information
Ligand IDCTP
InChIInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
FormulaC9 H16 N3 O14 P3
NameCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL223533
DrugBankDB02431
ZINCZINC000003861746
PDB chain3h3a Chain B Residue 502 [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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PDB3h3a Mechanism for the definition of elongation and termination by the class II CCA-adding enzyme
Resolution2.801 Å
Binding residue
(original residue number in PDB)		G41 G42 R45 R129 D130 N134 D174 R177 R180 R183 F184 R187
Binding residue
(residue number reindexed from 1)		G41 G42 R45 R121 D122 N126 D166 R169 R172 R175 F176 R179
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
View graph for
Biological Process
External links
PDB RCSB:3h3a, PDBe:3h3a, PDBj:3h3a
PDBsum3h3a
PubMed19745807
UniProtQ9WZH4

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