Structure of PDB 6i01 Chain B Binding Site BS02

Receptor Information
>6i01 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 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 chain6i01 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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PDB6i01 Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q202 M445 E499 Y500 N510 Y560 F578
Binding residue
(residue number reindexed from 1)		Q101 M344 E398 Y399 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:6i01, PDBe:6i01, PDBj:6i01
PDBsum6i01
PubMed30872481
UniProtO94923|GLCE_HUMAN D-glucuronyl C5-epimerase (Gene Name=GLCE)

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