Structure of PDB 2wnb Chain A Binding Site BS02

Receptor Information
>2wnb Chain A (length=273) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPCTCTRCIEEQRVSAWFDERFNRSMQPLLTAKNAHLEEDTYKWWLRLQR
EKQPNNLNDTIRELFQVVPGNVDPLLEKRLVSCRRCAVVGNSGNLKESYY
GPQIDSHDFVLRMNKAPTEGFEADVGSKTTHHFVYPESFRELAQEVSMIL
VPFKTTDLEWVISATTTGRISHTYVPVPAKIKVKKEKILIYHPAFIKYVF
DRWLQGHGRYPSTGILSVIFSLHICDEVDLYGFGADSKGNWHHYWEGVHD
GDFESNVTTILASINKIRIFKGR
Ligand information
Ligand IDC5P
InChIInChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyIERHLVCPSMICTF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=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
FormulaC9 H14 N3 O8 P
NameCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL307679
DrugBankDB03403
ZINCZINC000003861744
PDB chain2wnb Chain A Residue 1344 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wnb Structural Insight Into Mammalian Sialyltransferases.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		N150 S151 M172 N173 G273 F292 G293 W300 H302
Binding residue
(residue number reindexed from 1)		N91 S92 M113 N114 G214 F233 G234 W241 H243
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Y269 H319
Catalytic site (residue number reindexed from 1) Y210 H249
Enzyme Commision number 2.4.3.2: beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminide alpha-2,3- sialyltransferase.
2.4.3.4: beta-galactoside alpha-2,3-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:2wnb, PDBe:2wnb, PDBj:2wnb
PDBsum2wnb
PubMed19820709
UniProtQ02745|SIA4A_PIG CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 (Gene Name=ST3GAL1)

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