Structure of PDB 5bo9 Chain B Binding Site BS03

Receptor Information
>5bo9 Chain B (length=277) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WKFNRTAFLHQRQEILQHVDVIKNFSLTKNSVRIGQLMHYDYSSHKYVFS
ISNNFRSLLPDVSPIMNKHYNICAVVGNSGILTGSQCGQEIDKSDFVFRC
NFAPTEAFQRDVGRKTNLTTFNPSILEKYYNNLLTIQDRNNFFLSLKKLD
GAILWIPAFFFHTSATVTRTLVDFFVEHRGQLKVQLAWPGNIMQHVNRYW
KNKHLSPKRLSTGILMYTLASAICEEIHLYGFWPFGFDPNTREDLPYHYY
DQLPAEFQLLYRMHGEGLTKLTLSHCA
Ligand information
Ligand IDCSF
InChIInChI=1S/C20H30FN4O16P/c1-6(27)23-10-13(31)16(21)20(18(33)34,40-15(10)11(29)7(28)4-26)41-42(36,37)38-5-8-12(30)14(32)17(39-8)25-3-2-9(22)24-19(25)35/h2-3,7-8,10-17,26,28-32H,4-5H2,1H3,(H,23,27)(H,33,34)(H,36,37)(H2,22,24,35)/t7-,8-,10-,11-,12-,13-,14-,15-,16-,17-,20-/m1/s1
InChIKeyHNJLGUNKGJTPBF-JTKQZVQZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1[CH](O)[CH](F)[C](O[CH]1[CH](O)[CH](O)CO)(O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=NC3=O)N)C(O)=O
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@@](O[C@H]1[C@H](O)[C@H](O)CO)(O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=NC3=O)N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)F)O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O
ACDLabs 10.04FC3C(O)C(NC(=O)C)C(OC3(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)C(=O)O)C(O)C(O)CO
FormulaC20 H30 F N4 O16 P
NameCYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID;
CMP-3FNEUAC
ChEMBL
DrugBank
ZINCZINC000024734081
PDB chain5bo9 Chain B Residue 410 [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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PDB5bo9 Structure of human ST8SiaIII sialyltransferase provides insight into cell-surface polysialylation.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N167 S168 C189 N190 N211 I214 S300 T301 G302 F321 W322 P323 Y336 H337
Binding residue
(residue number reindexed from 1)		N78 S79 C100 N101 N122 I125 S211 T212 G213 F232 W233 P234 Y247 H248
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R298
Catalytic site (residue number reindexed from 1) R209
Enzyme Commision number 2.4.3.-
2.4.3.8: alpha-N-acetylneuraminate alpha-2,8-sialyltransferase.
Gene Ontology
Molecular Function
GO:0008373 sialyltransferase activity
Biological Process
GO:0006486 protein glycosylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5bo9, PDBe:5bo9, PDBj:5bo9
PDBsum5bo9
PubMed26192331
UniProtO43173|SIA8C_HUMAN Alpha-N-acetylneuraminate alpha-2,8-sialyltransferase ST8SIA3 (Gene Name=ST8SIA3)

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