Structure of PDB 8tz7 Chain B Binding Site BS01

Receptor Information
>8tz7 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 chain8tz7 Chain B Residue 801 [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]
PDB8tz7 Antiviral drug recognition and elevator-type transport motions of CNT3.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Q347 I456 N524 E525
Binding residue
(residue number reindexed from 1)		Q258 I367 N435 E436
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005337 nucleoside transmembrane transporter activity
GO:0015213 uridine transmembrane transporter activity
GO:0015389 pyrimidine- and adenosine-specific:sodium symporter activity
GO:0015390 purine-specific nucleoside:sodium symporter activity
Biological Process
GO:0015855 pyrimidine nucleobase transport
GO:0015860 purine nucleoside transmembrane transport
GO:0015862 uridine transmembrane transport
GO:0015864 pyrimidine nucleoside transport
GO:0035725 sodium ion transmembrane transport
GO:0072531 pyrimidine-containing compound transmembrane transport
GO:1901642 nucleoside transmembrane transport
GO:1904823 purine nucleobase transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0031526 brush border membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8tz7, PDBe:8tz7, PDBj:8tz7
PDBsum8tz7
PubMed38418906
UniProtF1MGR1

[Back to BioLiP]