Structure of PDB 6i02 Chain B Binding Site BS02

Receptor Information
>6i02 Chain B (length=516) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKYEEIDCLINDEHTIKGRREGNEVFLPFTWVEKYFDVYGKVVQYDGYDR
FEFSHSYSKVYAQRAPYHPDGVFMSFEGYNVEVRDRVKCISGVEGVPLST
QWGPQGYFYPIQIAQYGLSHYSKNLTEKPPHIEVYETAEDRDKNKPNDWT
VPKGCFMANVADKSRFTNVKQFIAPETSEGVSLQLGNTKDFIISFDLKFL
TNGSVSVVLETTEKNQLFTIHYVSNAQLIAFKERDIYYGIGPRTSWSTVT
RDLVTDLRKGVGLSNTKAVKPTKIMPKKVVRLIAKGKGFLDNITISTTAH
MAAFFAASDWLVRNQDEKGGWPIMVTRKLGEGFKSLEPGWYSAMAQGQAI
STLVRAYLLTKDHIFLNSALRATAPYKFLSEQHGVKAVFMNKHDWYEEYP
TTPSSFVLNGFMYSLIGLYDLKETAGEKLGKEARSLYERGMESLKAMLPL
YDTGSGTIYDLRHFMLGIAPNLARWDFHTTHINQLQLLSTIDESPVFKEF
VKRWKSYLKGSRAKHN
Ligand information
Ligand IDIDR
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-VCSGLWQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
FormulaC6 H10 O7
Namealpha-L-idopyranuronic acid;
alpha-L-iduronic acid;
L-iduronic acid;
iduronic acid
ChEMBL
DrugBankDB02945
ZINCZINC000004097162
PDB chain6i02 Chain F Residue 3 [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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PDB6i02 Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		Q202 Y210 M445 E499 N510 Y560 F578
Binding residue
(residue number reindexed from 1)		Q101 Y109 M344 E398 N409 Y459 F477
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.17: heparosan-N-sulfate-glucuronate 5-epimerase.
Gene Ontology
Molecular Function
GO:0047464 heparosan-N-sulfate-glucuronate 5-epimerase activity
Biological Process
GO:0015012 heparan sulfate proteoglycan biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6i02, PDBe:6i02, PDBj:6i02
PDBsum6i02
PubMed30872481
UniProtO94923|GLCE_HUMAN D-glucuronyl C5-epimerase (Gene Name=GLCE)

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