Structure of PDB 3h3a Chain A Binding Site BS01

Receptor Information
>3h3a Chain A (length=417) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQIFRDVSKLLVERVDPKILNLFRLLGKFGDEVNMPVYVVGGFVRDLLLG
IKNLDIDIVVEGNALEFAEYAKRFLPGKLVKHDKFMTASLFLKGGLRIDI
ATAEMSTIKKDLYRRDFTINAMAIKLNPKDFGLLIDFFGGYRDLKEGVIR
VLHTLSFVDDPTRILRAIRFEQRFDFRIEETTERLLKQAVEEGYLERTTG
PRLRQELEKILEEKNPLKSIRRMAQFDVIKHLFPKTYYTPSMDEKMENLF
RNIPWVEENFGEVDRFYAVLHVFLEFYDDESWKEVRDRYSLRRNLINEIR
HVEKSAPALLEMLSERVPASFVYPLVKGVSNETICHFLAYLSGEKEGLFK
SYLLKIKNTKLEKINGEYLIRKGITSGKIIGEVLEKILMKKLDGDTRDEE
EILEEVLASLETEGKLA
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 A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		R45 R129 D130 N134 R177 R180 F184 R187
Binding residue
(residue number reindexed from 1)		R45 R115 D116 N120 R163 R166 F170 R173
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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