Structure of PDB 4pxq Chain B Binding Site BS03

Receptor Information
>4pxq Chain B (length=515) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRYEEIDCLINDDATIKGRREGSEVYMPFSWMEKYFEVYGKVVQYDGYDR
FEFSHSYSKVYAQREQYHPNGVFMSFEGYNVEVRDRVKCISGVEGVPLST
QWGPQGYFYAIQIAQYGLSHYSKNLTERPPHVEVYDTAEERDSRSSAWTV
PKGCSLTRVYDKTRATSVREFSAPENSEGVSLPLGNTKDFIISFDLKFTS
NGSVSVILETTEKGPPFVIHYVTTTQLILLKDRDITYGIGPRTTWTTVTR
DLLTDLRKGIGLSNTKAVKATKTMPRRVVKLVVHGTGTIDNITISTTSHM
AAFYAASDWLVRNQDERGGWPIMVTRKLGEGFRALEPGWYSAMAQGQAMS
TLVRAYLMTKDDRYLKAALRATGPFKLPSEQHGVKAVFMNKYDWYEEYPT
IPSSFVLNGFIYSLIGLFDLAQTAGEKLGRDAGQLYSKGMESLKVMLPLY
DTGSGTIYDLRHFILGTAPNLARWDYHTTHINQLQLLGTIDNSPIFRDSV
KRWKSYLKGGRAKHN
Ligand information
Ligand IDIDS
InChIInChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1
InChIKeyCOJBCAMFZDFGFK-VCSGLWQLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
CACTVS 3.341O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O
ACDLabs 10.04O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O
FormulaC6 H10 O10 S
Name2-O-sulfo-alpha-L-idopyranuronic acid;
O2-SULFO-GLUCURONIC ACID;
2-O-sulfo-alpha-L-iduronic acid;
2-O-sulfo-L-iduronic acid;
2-O-sulfo-iduronic acid
ChEMBL
DrugBankDB02264
ZINCZINC000004096028
PDB chain4pxq Chain D Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pxq Structural and Functional Study of d-Glucuronyl C5-epimerase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R543 Y546
Binding residue
(residue number reindexed from 1)		R473 Y476
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.17: heparosan-N-sulfate-glucuronate 5-epimerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0047464 heparosan-N-sulfate-glucuronate 5-epimerase activity
Biological Process
GO:0015012 heparan sulfate proteoglycan biosynthetic process
GO:0030210 heparin biosynthetic process
Cellular Component
GO:0000139 Golgi membrane
GO:0005794 Golgi apparatus
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4pxq, PDBe:4pxq, PDBj:4pxq
PDBsum4pxq
PubMed25568314
UniProtF1QR43|GLCEB_DANRE D-glucuronyl C5-epimerase B (Gene Name=glceb)

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