Structure of PDB 8tzd Chain B Binding Site BS01

Receptor Information
>8tzd Chain B (length=533) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERMCGRMSDFCREHKTTLRYIIWGILIAGYLALVIAACVMNFHRALPLFV
ITVVAIFFVVWDHLMAKYESQIARFLSPGQRLLDSHWFWLKWVIWGCLIL
GVILWLVFDTAKLGQQQLVSFGGLIIYTSLTFLFSKHPTKVYWRPVFWGI
GLQFLLGLLILRTEPGFMAFDWLGKQVQTFLGYSDAGASFVFGEKYTDHF
FAFKVLPIVIFFSTVMSMLYYLGLMQWIIRKVGWVMLVTMGTSPVESVVA
SGNIFIGQTESPLLVRPYLPYVTKSELHAIMTAGFSTIAGSVLGAYISFG
VSSSHLLTASVMSAPAALAISKLFWPETETPKINLKNAMKMESGDSRNLL
EAATQGASSSISLVANIAVNLIAFLALLSFMNSALSWLGNMFDYPQLSFE
VICSYVFMPFAFMMGVDWQDSFMVAKLIGYKTFFNEFVAYQQLSKLISLR
QVGGPKFVDGVQQYMSMRSEAISTYALCGFANFGSLGIVIGGLTSMAPSR
KRDITAGAMRALIAGTIACFLTACIAGMLTNTP
Ligand information
Ligand IDXMO
InChIInChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1
InChIKeyHTNPEHXGEKVIHG-QCNRFFRDSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CC(C)C(=O)OCC1OC(N2C=CC(=NC2=O)NO)C(O)C1O
OpenEye OEToolkits 2.0.7CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)NO)O)O
OpenEye OEToolkits 2.0.7CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NO)O)O
CACTVS 3.385CC(C)C(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)NO
CACTVS 3.385CC(C)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=NC2=O)NO
FormulaC13 H19 N3 O7
NameN-hydroxy-5'-O-(2-methylpropanoyl)cytidine;
Molnupiravir
ChEMBL
DrugBank
ZINC
PDB chain8tzd Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8tzd Antiviral drug recognition and elevator-type transport motions of CNT3.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		F290 V294 A378 S380 V381 N524 F526
Binding residue
(residue number reindexed from 1)		F201 V205 A289 S291 V292 N435 F437
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005337 nucleoside transmembrane transporter activity
Biological Process
GO:1901642 nucleoside transmembrane transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8tzd, PDBe:8tzd, PDBj:8tzd
PDBsum8tzd
PubMed38418906
UniProtF1MGR1

[Back to BioLiP]