Structure of PDB 8tzd Chain A Binding Site BS01

Receptor Information
>8tzd Chain A (length=521) 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
VSSSHLLTASVMSAPAALAISKLFWPETETPKDSRNLLEAATQGASSSIS
LVANIAVNLIAFLALLSFMNSALSWLGNMFDYPQLSFEVICSYVFMPFAF
MMGVDWQDSFMVAKLIGYKTFFNEFVAYQQLSKLISLRQVGGPKFVDGVQ
QYMSMRSEAISTYALCGFANFGSLGIVIGGLTSMAPSRKRDITAGAMRAL
IAGTIACFLTACIAGMLTNTP
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 A Residue 701 [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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PDB8tzd Antiviral drug recognition and elevator-type transport motions of CNT3.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		F289 A378 V381 N524 E525
Binding residue
(residue number reindexed from 1)		F200 A289 V292 N423 E424
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

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

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