Structure of PDB 4js1 Chain A Binding Site BS01

Receptor Information
>4js1 Chain A (length=318) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEASFQVWNKDSSSKNLIPRLQKIWKNYLSMNKYKVSYKGPGPGIKFSAE
ALRCHLRDHVNVSMVEVTDFPFNTSEWEGYLPKESIRTKAGPWGRCAVVS
SAGSLKSSQLGREIDDHDAVLRFNGAPTANFQQDVGTKTTIRLMNSQLVT
TEKRFLKDSLYNEGILIVWDPSVYHSDIPKWYQNPDYNFFNNYKTYRKLH
PNQPFYILKPQMPWELWDILQEISPEEIQPNPPSSGMLGIIIMMTLCDQV
DIYEFLPSKRKTDVCYYYQKFFDSACTMGAYHPLLYEKNLVKHLNQGTDE
DIYLLGKATLPGFRTIHC
Ligand information
Ligand IDCTN
InChIInChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
InChIKeyUHDGCWIWMRVCDJ-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
FormulaC9 H13 N3 O5
Name4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE;
CYTIDINE
ChEMBLCHEMBL95606
DrugBankDB02097
ZINCZINC000002583632
PDB chain4js1 Chain A Residue 510 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4js1 The structure of human alpha-2,6-sialyltransferase reveals the binding mode of complex glycans.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		S189 A190 F211 S322 G324 F343 C353 C364 K376
Binding residue
(residue number reindexed from 1)		S101 A102 F123 S234 G236 F255 C265 C276 K288
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) P320 H370
Catalytic site (residue number reindexed from 1) P232 H282
Enzyme Commision number 2.4.3.1: beta-galactoside alpha-(2,6)-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:4js1, PDBe:4js1, PDBj:4js1
PDBsum4js1
PubMed23999306
UniProtP15907|SIAT1_HUMAN Beta-galactoside alpha-2,6-sialyltransferase 1 (Gene Name=ST6GAL1)

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