Structure of PDB 7prt Chain A Binding Site BS03

Receptor Information
>7prt Chain A (length=384) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKNSTYSRSSVDVLYTFANCSGLDLIFGLNALLRTADLQWNSSNAQLLLD
YCSSKGYNISWELGNEPNSFLKKADIFINGSQLGEDFIQLHKLLRKSTFK
NAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYLNGRTATRED
FLNPDVLDIFISSVQKVFQVVESTRPGKKVWLGETSSAYGGGAPLLSDTF
AAGFMWLDKLGLSARMGIEVVMRQVFFGAGNYHLVDENFDPLPDYWLSLL
FKKLVGTKVLMASVQGSKRRKLRVYLHCTNTDNPRYKEGDLTLYAINLHN
VTKYLRLPYPFSNKQVDKYLLRPLGPHGLLSKSVQLNGLTLKMVDDQTLP
PLMEKPLRPGSSLGLPAFSYSFFVIRNAKVAACI
Ligand information
Ligand IDZ61
InChIInChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyPMMURAAUARKVCB-ZXXMMSQZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C(C(C(OC1O)CO)O)O
OpenEye OEToolkits 1.7.6C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O
ACDLabs 12.01OC1C(OC(O)CC1O)CO
CACTVS 3.370OC[CH]1O[CH](O)C[CH](O)[CH]1O
CACTVS 3.370OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O
FormulaC6 H12 O5
Name2-deoxy-alpha-D-arabino-hexopyranose;
2-deoxy-alpha-D-glucopyranose;
2-deoxy-alpha-D-mannopyranose
ChEMBLCHEMBL4303562
DrugBank
ZINCZINC000003860328
PDB chain7prt Chain D 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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PDB7prt Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G349 G350
Binding residue
(residue number reindexed from 1)		G190 G191
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:7prt, PDBe:7prt, PDBj:7prt
PDBsum7prt
PubMed35881786
UniProtQ9Y251|HPSE_HUMAN Heparanase (Gene Name=HPSE)

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