Structure of PDB 6i02 Chain A Binding Site BS02

Receptor Information
>6i02 Chain A (length=511) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKYEEIDCLINDEHTIKGRREGNEVFLPFTWVEKYFDVYGKVVQYDGYDR
FEFSHSYSKVYAQRAPYHPDGVFMSFEGYNVEVRDRVKCISGVEGVPLST
QWGPQGYFYPIQIAQYGLSHYSKNLTEKPPHIEVYETAEDRNDWTVPKGC
FMANVADKSRFTNVKQFIAPETSEGVSLQLGNTKDFIISFDLKFLTNGSV
SVVLETTEKNQLFTIHYVSNAQLIAFKERDIYYGIGPRTSWSTVTRDLVT
DLRKGVGLSNTKAVKPTKIMPKKVVRLIAKGKGFLDNITISTTAHMAAFF
AASDWLVRNQDEKGGWPIMVTRKLGEGFKSLEPGWYSAMAQGQAISTLVR
AYLLTKDHIFLNSALRATAPYKFLSEQHGVKAVFMNKHDWYEEYPTTPSS
FVLNGFMYSLIGLYDLKETAGEKLGKEARSLYERGMESLKAMLPLYDTGS
GTIYDLRHFMLGIAPNLARWDFHTTHINQLQLLSTIDESPVFKEFVKRWK
SYLKGSRAKHN
Ligand information
Ligand IDGNS
InChIInChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/s1
InChIKeyPRDZVHCOEWJPOB-UKFBFLRUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O
ACDLabs 12.01O=S(=O)(O)NC1C(O)C(O)C(OC1O)CO
CACTVS 3.370OC[C@H]1O[C@H](O)[C@H](N[S](O)(=O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O)[CH]1O
FormulaC6 H13 N O8 S
Name2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose;
N-SULFO-ALPHA-D-GLUCOSAMINE;
2-deoxy-2-(sulfoamino)-alpha-D-glucose;
2-deoxy-2-(sulfoamino)-D-glucose;
2-deoxy-2-(sulfoamino)-glucose
ChEMBL
DrugBank
ZINCZINC000005830072
PDB chain6i02 Chain C 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 R428 Y500 Y560 R563 N572 R575 F578
Binding residue
(residue number reindexed from 1)		Q101 R322 Y394 Y454 R457 N466 R469 F472
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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