Structure of PDB 6xbo Chain A Binding Site BS01

Receptor Information
>6xbo Chain A (length=319) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLFFKLYCLTVMTLVAAAYTVALRYTRTTAEELYFSTTAVCITEVIKLLI
SVGLLAKETGSLGRFKASLSENVLGSPKELAKLSVPSLVYAVQNNMAFLA
LSNLDAAVYQVTYQLKIPCTALCTVLMLNRTLSKLQWISVFMLCGGVTLV
QWKPAQATKVVVAQNPLLGFGAIAIAVLCSGFAGVYFEKVLKSSDTSLWV
RNIQMYLSGIVVTLAGTYLSDGAEIQEKGFFYGYTYYVWFVIFLASVGGL
YTSVVVKYTDNIMKGFSAAAAIVLSTIASVLLFGLQITLSFALGALLVCV
SIYLYGLPRTSNSLEVLFQ
Ligand information
Ligand ID5MC
InChIInChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
InChIKeyNJQONZSFUKNYOY-JXOAFFINSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N=C1N
CACTVS 3.341CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N=C1N
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
ACDLabs 10.04O=C1N=C(N)C(=CN1C2OC(C(O)C2O)COP(=O)(O)O)C
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
FormulaC10 H16 N3 O8 P
Name5-METHYLCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL72388
DrugBankDB01995
ZINCZINC000013511986
PDB chain6xbo Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xbo Inhibition of CMP-sialic acid transport by endogenous 5-methyl CMP.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K55 Y98 Q101 N102 Y121 K124 S188 F195 M213 Y214 G257 S261 K272
Binding residue
(residue number reindexed from 1)		K47 Y90 Q93 N94 Y113 K116 S180 F187 M205 Y206 G249 S253 K264
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005456 CMP-N-acetylneuraminate transmembrane transporter activity
GO:0015165 pyrimidine nucleotide-sugar transmembrane transporter activity
GO:0015297 antiporter activity
Biological Process
GO:0015782 CMP-N-acetylneuraminate transmembrane transport
GO:0090481 pyrimidine nucleotide-sugar transmembrane transport
Cellular Component
GO:0000139 Golgi membrane
GO:0005794 Golgi apparatus
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:6xbo, PDBe:6xbo, PDBj:6xbo
PDBsum6xbo
PubMed34081697
UniProtQ61420|S35A1_MOUSE CMP-sialic acid transporter (Gene Name=Slc35a1)

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