Structure of PDB 1fsu Chain A Binding Site BS01

Receptor Information
>1fsu Chain A (length=475) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRPPHLVFLLADDLGWNDVGFHGSRIRTPHLDALAAGGVLLDNYYTQPLA
TPSRSQLLTGRYQIRTGLQHQIIWPCQPSCVPLDEKLLPQLLKEAGYTTH
MVGKWHLGMYRKECLPTRRGFDTYFGYLLGSEDYYSHERCTLIDALNVTR
CALDFRDGEEVATGYKNMYSTNIFTKRAIALITNHPPEKPLFLYLALQSV
HEPLQVPEEYLKPYDFIQDKNRHHYAGMVSLMDEAVGNVTAALKSSGLWN
NTVFIFSTDNGGQTLAGGNNWPLRGRKWSLWEGGVRGVGFVASPLLKQKG
VKNRELIHISDWLPTLVKLARGHTNGTKPLDGFDVWKTISEGSPSPRIEL
LHNIDPNFVDSSPCSAFNTSVHAAIRHGNWKLLTGYPGCGYWFPPPSQYN
VSEIPSSDPPTKTLWLFDIDRDPEERHDLSREYPHIVTKLLSRLQFYHKH
SVPVYFPAQDPRCDPKATGVWGPWM
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1fsu Chain A Residue 604 [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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PDB1fsu Structure of a human lysosomal sulfatase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D53 D54 X91 D300 N301
Binding residue
(residue number reindexed from 1)		D12 D13 X50 D259 N260
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D53 D54 A91 R95 K145 H147 S172 H242 D300 N301 K318
Catalytic site (residue number reindexed from 1) D12 D13 A50 R54 K104 H106 S131 H201 D259 N260 K277
Enzyme Commision number 3.1.6.12: N-acetylgalactosamine-4-sulfatase.
Gene Ontology
Molecular Function
GO:0003943 N-acetylgalactosamine-4-sulfatase activity
GO:0004065 arylsulfatase activity
GO:0008484 sulfuric ester hydrolase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006914 autophagy
GO:0007040 lysosome organization
GO:0007041 lysosomal transport
GO:0007584 response to nutrient
GO:0009268 response to pH
GO:0010632 regulation of epithelial cell migration
GO:0010976 positive regulation of neuron projection development
GO:0043627 response to estrogen
GO:0051597 response to methylmercury
GO:0061580 colon epithelial cell migration
Cellular Component
GO:0005576 extracellular region
GO:0005764 lysosome
GO:0005788 endoplasmic reticulum lumen
GO:0009986 cell surface
GO:0035578 azurophil granule lumen
GO:0043202 lysosomal lumen
GO:0070062 extracellular exosome
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1fsu, PDBe:1fsu, PDBj:1fsu
PDBsum1fsu
PubMed9032078
UniProtP15848|ARSB_HUMAN Arylsulfatase B (Gene Name=ARSB)

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