Structure of PDB 5e9c Chain A Binding Site BS02

Receptor Information
>5e9c Chain A (length=385) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFKNSTYSRSSVDVLYTFANCSGLDLIFGLNALLRTADLQWNSSNAQLLL
DYCSSKGYNISWELGNEPNSFLKKADIFINGSQLGEDFIQLHKLLRKSTF
KNAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYLNGRTATRE
DFLNPDVLDIFISSVQKVFQVVESTRPGKKVWLGETSSAYGGGAPLLSDT
FAAGFMWLDKLGLSARMGIEVVMRQVFFGAGNYHLVDENFDPLPDYWLSL
LFKKLVGTKVLMASVQGSKRRKLRVYLHCTNTDNPRYKEGDLTLYAINLH
NVTKYLRLPYPFSNKQVDKYLLRPLGPHGLLSKSVQLNGLTLKMVDDQTL
PPLMEKPLRPGSSLGLPAFSYSFFVIRNAKVAACI
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 chain5e9c Chain C Residue 2 [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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PDB5e9c Structural characterization of human heparanase reveals insights into substrate recognition.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		Y298 E343 Y348 G349 G350 Y391
Binding residue
(residue number reindexed from 1)		Y140 E185 Y190 G191 G192 Y233
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.166: heparanase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5e9c, PDBe:5e9c, PDBj:5e9c
PDBsum5e9c
PubMed26575439
UniProtQ9Y251|HPSE_HUMAN Heparanase (Gene Name=HPSE)

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