Brand  (β version)

PDB ID: 6GTA

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Ligands
Code Name Style Show Link
F9W (1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol PoSSuM
MG Magnesium ion PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 6GTA   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Alpha-galactosidase mutant D378A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 3,5 difluorophenyl leaving group
Release Data : 2018-08-22
Compound :
mol_id molecule chains synonym
1 Alpha-galactosidase A Melibiase
ec: 3.2.1.22
mutation: D387A
other_details: The electron density at the N- and C-termini is disordered and could not be modelled in the structure. This protein has a catalytically impaired D387A mutation which aided capture of the complex with intact inhibitor.
Source :
mol_id organism_scientific expression_system
1 Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)  (taxid:243274) Escherichia coli 'BL21-Gold(DE3)pLysS AG'  (taxid:866768)
gene: galA, TM_1192, Tmari_1199
Authors : Gloster, T.M., Pengelly, R.J.
Keywords : glycoside hydrolase, galactosidase, carbohydrate processing enzyme, inhibitor, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.20 Å )
Citation :

Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.

Ren, W.,Pengelly, R.,Farren-Dai, M.  et al.
(2018)  Nat Commun  9 : 3243 - 3243

PubMed: 30104598
DOI: 10.1038/s41467-018-05702-7

Reaction

Chain : A
UniProt : G4FEF4 (AGAL_THEMA)
Reaction: EC: Evidence:
Physiological Direction:
Hydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids. 3.2.1.22 PubMed:17323919, PubMed:24237145, PubMed:25486100, PubMed:26005928, PubMed:27783466, PubMed:9741105
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