Structure of PDB 8smp Chain A Binding Site BS01

Receptor Information
>8smp Chain A (length=527) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPKDLEPKHPTLWRIIYYSFGVVLLATITAAYVAEFQVILFSLGLYGLAM
LLHLMMQSLFAFLEIRRVNKSELPCSFKKTVALTIAGYQENPEYLIKCLE
SCKYVKYPKDKLKIILVIDGNTEDDAYMMEMFKDVFHGEDVGTYVWKGNY
HTEGINMVEELVRNKRCVCIMQQWGGKREVMYTAFQAIGTSVDYVQVCDS
DTKLDELATVEMVKVLESNDMYGAVGGDVRILNPYDSFISFMSSLRYWMA
FNVERACQSYFDCVSCISGPLGMYRNNILQVFLEAWYRQKFLGTYCTLGD
DRHLTNRVLSMGYRTKYTHKSRAFSETPSLYLRWLNQQTRWTKSYFREWL
YNAQWWHKHHIWMTYESVVSFIFPFFITATVIRLIYAGTIWNVVWLLLCI
QIMSLFKSIYACWLRGNFIMLLMSLYSMLYMTGLLPSKYFALLTLNKTGW
GTSGRKKIVGNYMPILPLSIWAAVLCGGVGYSIYMDCQNDWSTPEKQKEM
YHLLYGCVGYVMYWVIMAVMYWVWVKR
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain8smp Chain A Residue 601 [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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PDB8smp Atomistic insights into hyaluronan synthesis, secretion, and length control
Resolution3.4 Å
Binding residue
(original residue number in PDB)		Y107 E109 K218 D240 S241 R381 W491 R496
Binding residue
(residue number reindexed from 1)		Y88 E90 K177 D199 S200 R340 W450 R455
Annotation score3
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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8smp, PDBe:8smp, PDBj:8smp
PDBsum8smp
PubMed
UniProtP13563|HYAS1_XENLA Hyaluronan synthase 1 (Gene Name=has1)

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