Structure of PDB 5e98 Chain B Binding Site BS02

Receptor Information
>5e98 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 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 chain5e98 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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PDB5e98 Structural characterization of human heparanase reveals insights into substrate recognition.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		D62 N64
Binding residue
(residue number reindexed from 1)		D27 N29
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.166: heparanase.
External links
PDB RCSB:5e98, PDBe:5e98, PDBj:5e98
PDBsum5e98
PubMed26575439
UniProtQ9Y251|HPSE_HUMAN Heparanase (Gene Name=HPSE)

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