Structure of PDB 6i01 Chain A Binding Site BS07

Receptor Information
>6i01 Chain A (length=512) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKYEEIDCLINDEHTIKGRREGNEVFLPFTWVEKYFDVYGKVVQYDGYDR
FEFSHSYSKVYAQRAPYHPDGVFMSFEGYNVEVRDRVKCISGVEGVPLST
QWGPQGYFYPIQIAQYGLSHYSKNLTEKPPHIEVYETAEDRDNDWTVPKG
CFMANVADKSRFTNVKQFIAPETSEGVSLQLGNTKDFIISFDLKFLTNGS
VSVVLETTEKNQLFTIHYVSNAQLIAFKERDIYYGIGPRTSWSTVTRDLV
TDLRKGVGLSNTKAVKPTKIMPKKVVRLIAKGKGFLDNITISTTAHMAAF
FAASDWLVRNQDEKGGWPIMVTRKLGEGFKSLEPGWYSAMAQGQAISTLV
RAYLLTKDHIFLNSALRATAPYKFLSEQHGVKAVFMNKHDWYEEYPTTPS
SFVLNGFMYSLIGLYDLKETAGEKLGKEARSLYERGMESLKAMLPLYDTG
SGTIYDLRHFMLGIAPNLARWDFHTTHINQLQLLSTIDESPVFKEFVKRW
KSYLKGSRAKHN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6i01 Chain A Residue 728 [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)		T238 E240 T268 N269 D392
Binding residue
(residue number reindexed from 1)		T137 E139 T163 N164 D287
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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