Structure of PDB 8smn Chain A Binding Site BS01

Receptor Information
>8smn Chain A (length=519) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPKDLEPKHPTLWRIIYYSFGVVLLATITAAYVAEFQVLKHEAILFSLGL
YGLAMLLHLMMQSLFAFLEIRRVNKSELPCSFKKTVALTIAGYQENPEYL
IKCLESCKYVKYPKDKLKIILVIDGNTEDDAYMMEMFKDVFHGEDVGTYV
WKGNYHTEGINMVEELVRNKRCVCIMQQWGGKREVMYTAFQAIGTSVDYV
QVCDSDTKLDELATVEMVKVLESNDMYGAVGGDVRILNPYDSFISFMSSL
RYWMAFNVERACQSYFDCVSCISGPLGMYRNNILQVFLEAWYRQKFLGTY
CTLGDDRHLTNRVLSMGYRTKYTHKSRAFSETPSLYLRWLNQQTRWTKSY
FREWLYNAQWWHKHHIWMTYESVVSFIFPFFITATVIRLIYAGTIWNVVW
LLLCIQIMSLFKSIYACWLRGNFIMLLMSLYSMLYMTGLLPSKYFALLTL
NKNYMPILPLSIWAAVLCGGVGYSIYMDCQNDWSTPEKQKEMYHLLYGCV
GYVMYWVIMAVMYWVWVKR
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 chain8smn Chain B Residue 2 [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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PDB8smn Atomistic insights into hyaluronan synthesis, secretion, and length control
Resolution3.2 Å
Binding residue
(original residue number in PDB)		F60 S61 W436
Binding residue
(residue number reindexed from 1)		F46 S47 W400
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.212: hyaluronan synthase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0050501 hyaluronan synthase activity
Biological Process
GO:0030213 hyaluronan biosynthetic process
GO:0045226 extracellular polysaccharide biosynthetic process
GO:0085029 extracellular matrix assembly
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8smn, PDBe:8smn, PDBj:8smn
PDBsum8smn
PubMed
UniProtP13563|HYAS1_XENLA Hyaluronan synthase 1 (Gene Name=has1)

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