Structure of PDB 3s5z Chain B Binding Site BS01

Receptor Information

>3s5z Chain B (length=390) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LDNGLARTPTMGWLHWERFMCNLDCQEEPDSCISEKLFMEMAELMVSEGW
KDAGYEYLCIDDCWMAPQRDSEGRLQADPQRFPHGIRQLANYVHSKGLKL
GIYADVGNKTCAGFPGSFGYYDIDAQTFADWGVDLLKFDGCYCDSLENLA
DGYKHMSLALNRTGRSIVYSCEWPLYMWPFQKPNYTEIRQYCNHWRNFAD
IDDSWKSIKSILDWTSFNQERIVDVAGPGGWNDPDMLVIGNFGLSWNQQV
TQMALWAIMAAPLFMSNDLRHISPQAKALLQDKDVIAINQDPLGKQGYQL
RQGDNFEVWERPLSGLAWAVAMINRQEIGGPRSYTIAVASLGKGVACNPA
CFITQLLPVKRKLGFYEWTSRLRSHINPTGTVLLQLENTM

Ligand information

Ligand ID

GLA

InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1

InChIKey

WQZGKKKJIJFFOK-PHYPRBDBSA-N

SMILES

Software	SMILES
CACTVS 3.341	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04	OC1C(O)C(OC(O)C1O)CO

Formula

C6 H12 O6

Name

alpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE

PDB chain

3s5z Chain B Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3s5z The molecular basis of pharmacological chaperoning in human alpha-galactosidase
Resolution	2.001 Å
Binding residue (original residue number in PDB)	W47 D92 D93 C142 K168 D170 E203 R227 D231
Binding residue (residue number reindexed from 1)	W16 D61 D62 C111 K137 D139 E172 R196 D200
Annotation score	5
Binding affinity	MOAD: Ki=16mM

Enzymatic activity

Catalytic site (original residue number in PDB)	D170 D231
Catalytic site (residue number reindexed from 1)	D139 D200
Enzyme Commision number	3.2.1.22: alpha-galactosidase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004557	alpha-galactosidase activity
GO:0005102	signaling receptor binding
GO:0005515	protein binding
GO:0016787	hydrolase activity
GO:0016798	hydrolase activity, acting on glycosyl bonds
GO:0016936	galactoside binding
GO:0042803	protein homodimerization activity

	Biological Process
GO:0005975	carbohydrate metabolic process
GO:0006629	lipid metabolic process
GO:0009311	oligosaccharide metabolic process
GO:0016139	glycoside catabolic process
GO:0019915	lipid storage
GO:0030168	platelet activation
GO:0030431	sleep
GO:0031133	regulation of axon diameter
GO:0045019	negative regulation of nitric oxide biosynthetic process
GO:0046477	glycosylceramide catabolic process
GO:0046479	glycosphingolipid catabolic process
GO:0051001	negative regulation of nitric-oxide synthase activity
GO:0070527	platelet aggregation
GO:0090325	regulation of locomotion involved in locomotory behavior

	Cellular Component
GO:0005576	extracellular region
GO:0005737	cytoplasm
GO:0005764	lysosome
GO:0005794	Golgi apparatus
GO:0035578	azurophil granule lumen
GO:0043202	lysosomal lumen
GO:0070062	extracellular exosome

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Molecular Function

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Cellular Component

External links

PDB	RCSB:3s5z, PDBe:3s5z, PDBj:3s5z
PDBsum	3s5z
PubMed	22195554
UniProt	P06280\|AGAL_HUMAN Alpha-galactosidase A (Gene Name=GLA)

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