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Structure of PDB 1e71 Chain M Binding Site BS01

Receptor Information >1e71 Chain M (length=499) Species: 3728 (Sinapis alba) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] EITCQENLPFTCGNTDALNSSSFSSDFIFGVASSAYQIEGTIGRGLNIWD GFTHRYPNKSGPDHGNGDTTCDSFSYWQKDIDVLDELNATGYRFSIAWSR IIPRGKRSRGVNEKGIDYYHGLISGLIKKGITPFVTLFHWDLPQTLQDEY EGFLDPQIIDDFKDYADLCFEEFGDSVKYWLTINQLYSVPTRGYGSALDA PGRCSPTVDPSCYAGNSSTEPYIVAHHQLLAHAKVVDLYRKNYTHQGGKI GPTMITRWFLPYNDTDRHSIAATERMKEFFLGWFMGPLTNGTYPQIMIDT VGERLPSFSPEESNLVKGSYDFLGLNYYFTQYAQPSPNPVNSTNHTAMMD AGAKLTYINASGHYIGPLFEKDKADSTDNIYYYPKGIYSVMDYFKNKYYN PLIYVTENGISTPGDENRNQSMLDYTRIDYLCSHLCFLNKVIKEKDVNVK GYLAWALGDNYEFNKGFTVRFGLSYIDWNNVTDRDLKKSGQWYQSFISP

Ligand information Ligand ID ASC InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 InChIKey CIWBSHSKHKDKBQ-JLAZNSOCSA-N SMILES Software SMILES CACTVS 3.341 OC[CH](O)[CH]1OC(=O)C(=C1O)O OpenEye OEToolkits 1.5.0 C(C(C1C(=C(C(=O)O1)O)O)O)O OpenEye OEToolkits 1.5.0 C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O CACTVS 3.341 OC[C@H](O)[C@H]1OC(=O)C(=C1O)O ACDLabs 10.04 O=C1OC(C(O)=C1O)C(O)CO Formula C6 H8 O6 Name ASCORBIC ACID; Vitamin C ChEMBL CHEMBL196 DrugBank DB00126 ZINC ZINC000100006770 PDB chain 1e71 Chain M Residue 995 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1e71 High Resolution X-Ray Crystallography Shows that Ascorbate is a Cofactor for Myrosinase and Substitutes for the Function of the Catalytic Base Resolution 1.5 Å Binding residue (original residue number in PDB) Q187 I257 R259 Y330 F331 Binding residue (residue number reindexed from 1) Q185 I255 R257 Y328 F329 Annotation score 3

Enzymatic activity Enzyme Commision number 3.2.1.147: thioglucosidase.

Gene Ontology Molecular Function GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds GO:0008422 beta-glucosidase activity GO:0016798 hydrolase activity, acting on glycosyl bonds GO:0019137 thioglucosidase activity GO:0046872 metal ion binding

	Biological Process
GO:0005975	carbohydrate metabolic process
GO:0009651	response to salt stress
GO:0019762	glucosinolate catabolic process

	Cellular Component
GO:0005773	vacuole

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