Structure of PDB 5bo7 Chain A Binding Site BS01

Receptor Information
>5bo7 Chain A (length=290) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KWKFNRTAFLHQRQEILQHVDVIKNFSLTKNSVRIGQLMHYDYSSHKYVF
SISNNFRSLLPDVSPIMNKHYNICAVVGNSGILTGSQCGQEIDKSDFVFR
CNFAPTEAFQRDVGRKTNLTTFNPSILEKYYNNLLTIQDRNNFFLSLKKL
DGAILWIPAFFFHTSATVTRTLVDFFVEHRGQLKVQLAWPGNIMQHVNRY
WKNKHLSPKRLSTGILMYTLASAICEEIHLYGFWPFGFDPNTREDLPYHY
YDKKGTKFTTKESHQLPAEFQLLYRMHGEGLTKLTLSHCA
Ligand information
Ligand IDCTP
InChIInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
FormulaC9 H16 N3 O14 P3
NameCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL223533
DrugBankDB02431
ZINCZINC000003861746
PDB chain5bo7 Chain A 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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PDB5bo7 Structure of human ST8SiaIII sialyltransferase provides insight into cell-surface polysialylation.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		N167 S168 C189 N190 S300 T301 G302 F321 W322 P323 Y336 H337 H354
Binding residue
(residue number reindexed from 1)		N79 S80 C101 N102 S212 T213 G214 F233 W234 P235 Y248 H249 H264
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R298 H354
Catalytic site (residue number reindexed from 1) R210 H264
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:5bo7, PDBe:5bo7, PDBj:5bo7
PDBsum5bo7
PubMed26192331
UniProtO43173|SIA8C_HUMAN Alpha-N-acetylneuraminate alpha-2,8-sialyltransferase ST8SIA3 (Gene Name=ST8SIA3)

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