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Structure of PDB 5la4 Chain A Binding Site BS01

Receptor Information
>5la4 Chain A (length=508) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDVVDLDFFTQEPLHLVSPSFLSVTIDANLATDPRFLILLGSPKLRTLAR
GLSPAYLRFGGTKTDFLIFDPKKESTFEERSYWQSQVNQDICKYGSIPPD
VEEKLRLEWPYQEQLLLREHYQKKFKNSTYSRSSVDVLYTFANCSGLDLI
FGLNALLRTADLQWNSSNAQLLLDYCSSKGYNISWELGNEPNSFLKKADI
FINGSQLGEDFIQLHKLLRKSTFKNAKLYGPDVGQPRRKTAKMLKSFLKA
GGEVIDSVTWHHYYLNGRTATREDFLNPDVLDIFISSVQKVFQVVESTRP
GKKVWLGETSSAYGGGAPLLSDTFAAGFMWLDKLGLSARMGIEVVMRQVF
FGAGNYHLVDENFDPLPDYWLSLLFKKLVGTKVLMASVQGSKRRKLRVYL
HCTNTDNPRYKEGDLTLYAINLHNVTKYLRLPYPFSNKQVDKYLLRPLGP
HGLLSKSVQLNGLTLKMVDDQTLPPLMEKPLRPGSSLGLPAFSYSFFVIR
NAKVAACI
Ligand information
Ligand IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain5la4 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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PDB5la4 Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H458 N459 K462
Binding residue
(residue number reindexed from 1)		H423 N424 K427
Annotation score2
Enzymatic activity
Enzyme Commision number 3.2.1.166: heparanase.
Gene Ontology
Molecular Function
GO:0004566 beta-glucuronidase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030305 heparanase activity
GO:0045545 syndecan binding
Biological Process
GO:0006029 proteoglycan metabolic process
GO:0007155 cell adhesion
GO:0007160 cell-matrix adhesion
GO:0010575 positive regulation of vascular endothelial growth factor production
GO:0030194 positive regulation of blood coagulation
GO:0030200 heparan sulfate proteoglycan catabolic process
GO:0030202 heparin metabolic process
GO:0033690 positive regulation of osteoblast proliferation
GO:0042060 wound healing
GO:0046677 response to antibiotic
GO:0051797 regulation of hair follicle development
GO:0051798 positive regulation of hair follicle development
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0060055 angiogenesis involved in wound healing
GO:0061028 establishment of endothelial barrier
GO:0061042 vascular wound healing
GO:0071806 protein transmembrane transport
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0016020 membrane
GO:0031012 extracellular matrix
GO:0035580 specific granule lumen
GO:0043202 lysosomal lumen
GO:0043231 intracellular membrane-bounded organelle
GO:0045121 membrane raft

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5la4, PDBe:5la4, PDBj:5la4
PDBsum5la4
PubMed28581485
UniProtQ9Y251|HPSE_HUMAN Heparanase (Gene Name=HPSE)

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