Structure of PDB 3uan Chain A Binding Site BS04

Receptor Information
>3uan Chain A (length=256) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STQQLPQTIIIGVRKGGTRALLEMLSLHPDVAAAENEVHFFDWEEHYSQG
LGWYLTQMPFSSPHQLTVEKTPAYFTSPKVPERIHSMNPTIRLLLILRDP
SERVLSDYTQVLYNHLQKHKPYPPIEDLLMRRLNLDYKALNRSLYHAHML
NWLRFFPLGHIHIVDGDRLIRDPFPEIQKVERFLKLSPQINASNFYFNKT
KGFYCLRDSGKDRCLHESKGRAHPQVDPKLLDKLHEYFHEPNKKFFKLVG
RTFDWH
Ligand information
Ligand IDBDP
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-QIUUJYRFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.370O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-glucopyranuronic acid;
beta-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBLCHEMBL1159524
DrugBankDB03156
ZINCZINC000004097543
PDB chain3uan Chain C Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uan Dissecting the substrate recognition of 3-O-sulfotransferase for the biosynthesis of anticoagulant heparin.
Resolution1.844 Å
Binding residue
(original residue number in PDB)		R72 K123 S273 K274
Binding residue
(residue number reindexed from 1)		R19 K70 S218 K219
Annotation score1
Enzymatic activity
Enzyme Commision number 2.8.2.23: [heparan sulfate]-glucosamine 3-sulfotransferase 1.
Gene Ontology
Molecular Function
GO:0008146 sulfotransferase activity
GO:0008467 [heparan sulfate]-glucosamine 3-sulfotransferase 1 activity
GO:0016740 transferase activity
Biological Process
GO:0006024 glycosaminoglycan biosynthetic process
GO:0015012 heparan sulfate proteoglycan biosynthetic process
Cellular Component
GO:0005794 Golgi apparatus
GO:0005796 Golgi lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3uan, PDBe:3uan, PDBj:3uan
PDBsum3uan
PubMed22431632
UniProtO35310|HS3S1_MOUSE Heparan sulfate glucosamine 3-O-sulfotransferase 1 (Gene Name=Hs3st1)

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