Structure of PDB 2wnb Chain A Binding Site BS01

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 IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain2wnb Chain B Residue 2 [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)		Q108 Y194 F212 Y233 Y269 H319
Binding residue
(residue number reindexed from 1)		Q49 Y135 F153 Y174 Y210 H249
Annotation score1
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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