Structure of PDB 5e9c Chain B Binding Site BS01

Receptor Information
>5e9c Chain B (length=74) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDVVDLDFFTQEPLHLVSPSFLSVTIDANLATDPRFLILLGSPKLRTLAR
GLSPAYLRFGGTKTDFLIFDPKKE
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)		D62 G96 T97
Binding residue
(residue number reindexed from 1)		D27 G61 T62
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.166: heparanase.
External links
PDB RCSB:5e9c, PDBe:5e9c, PDBj:5e9c
PDBsum5e9c
PubMed26575439
UniProtQ9Y251|HPSE_HUMAN Heparanase (Gene Name=HPSE)

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