Structure of PDB 6qxn Chain A Binding Site BS01

Receptor Information
>6qxn Chain A (length=376) Species: 1215089 (Planococcus halocryophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDKMNTAIKVIHTLKAAGFEAYIVGGAVRDLLLGKTPHDVDVASSALPQQ
VKVLFDRTVDTGIDHGTVLVLLDGEGIEVTTFRTESSYSDNRRPDSVEFV
LSLEEDLRRRDFTINAMAMTEDLKIIDPFGGKEDLKNKVIRAVGDPDERF
EEDALRMLRAIRFSGQLDFIIDMKTLLSIRRHARLIRFIAVERLKSEIDK
IFVNPSMQKSMAYLKDSVLTRFLPVGGLFEVDWITYHTDGNPTYGWLYLL
HQQKRQFTDIKDYRFSNEEKRLIEKSLELTALNTWDQWTFYKYTLKQLEM
ASRVTGKKKDLAAIKRQLPIQSRSELAVDGWDLIEWSGAKSGPWLKVWIE
KIERLIVYGILKNDKELIKDWFEDEY
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 chain6qxn 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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PDB6qxn CCA-addition in the cold: Structural characterization of the psychrophilic CCA-adding enzyme from the permafrost bacterium Planococcus halocryophilus
Resolution1.849 Å
Binding residue
(original residue number in PDB)		R26 R107 D108 N112 R153 R156 R159
Binding residue
(residue number reindexed from 1)		R29 R110 D111 N115 R156 R159 R162
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S207 D256 R261 F262
Catalytic site (residue number reindexed from 1) S210 D259 R264 F265
Enzyme Commision number 2.7.7.72: CCA tRNA nucleotidyltransferase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0003723 RNA binding
GO:0016779 nucleotidyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006396 RNA processing
GO:0008033 tRNA processing

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6qxn, PDBe:6qxn, PDBj:6qxn
PDBsum6qxn
PubMed
UniProtA0A1C7DQ98

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