Structure of PDB 6q2p Chain B Binding Site BS03

Receptor Information
>6q2p Chain B (length=293) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTTPVSVNYHFTRQCNYKCGFCFHTAKTSFVLPLEEAKRGLLLLKQAGLE
KINFSGGEPFLQDRGEYLGKLVRFCKEELALPSVSIVSNGSLIRERWFKD
YGEYLDILAISCDSFDEQVNALIGRGQGKKNHVENLQKLRRWCRDYKVAF
KINSVINRFNVDEDMNEHIKALSPVRWKVFQCLLIEGENSGADALRAAER
FLISNEEFETFLERHKEVSCLVPESNQKMKDSYLILDEYMRFLNCTGGRK
DPSKSILDVGVEEAIKFSGFDEKMFLKRGGKYVWSKADLKLDW
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 chain6q2p Chain B Residue 404 [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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PDB6q2p Structural Basis of the Substrate Selectivity of Viperin.
Resolution1.452 Å
Binding residue
(original residue number in PDB)		N77 H79 F92 K120 N122 S124 K220 N222 R245 K247 F249 Y302 I304 K319 Y351
Binding residue
(residue number reindexed from 1)		N8 H10 F23 K51 N53 S55 K151 N153 R176 K178 F180 Y233 I235 K250 Y282
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.-.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0051536 iron-sulfur cluster binding
Biological Process
GO:0051607 defense response to virus
Cellular Component
GO:0005789 endoplasmic reticulum membrane
GO:0005811 lipid droplet

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6q2p, PDBe:6q2p, PDBj:6q2p
PDBsum6q2p
PubMed31917549
UniProtQ8CBB9|RSAD2_MOUSE S-adenosylmethionine-dependent nucleotide dehydratase RSAD2 (Gene Name=Rsad2)

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