Structure of PDB 5e9c Chain A Binding Site BS01

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 ID5KV
InChIInChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6-/m1/s1
InChIKeyDQTRACMFIGDHSN-QZABAPFNSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC1C(C(C(OC1COS(=O)(O)=O)O)NS(O)(=O)=O)O
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O
CACTVS 3.385O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O
CACTVS 3.385O[C@@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O
OpenEye OEToolkits 1.9.2C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O
FormulaC6 H13 N O11 S2
Name2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose;
6-O-sulfo-N-sulfo-beta-D-glucosamine;
2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucose;
2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose;
2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose
ChEMBL
DrugBank
ZINC
PDB chain5e9c Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5e9c Structural characterization of human heparanase reveals insights into substrate recognition.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		E225 G269 Q270 H296 Y298 Y348
Binding residue
(residue number reindexed from 1)		E67 G111 Q112 H138 Y140 Y190
Annotation score1
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)

[Back to BioLiP]