Structure of PDB 5e9c Chain A Binding Site BS04

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 IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain5e9c Chain A Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D399 P400 K501 M502
Binding residue
(residue number reindexed from 1)		D241 P242 K343 M344
Annotation score3
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

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

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