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Structure paper

TitleThe evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Journal, issue, pagesNat Commun, Vol. 13, Page 5577-5577, Year 2022
Publish dateFeb 13, 2019 (structure data deposition date)
AuthorsLuang, S. / Fernandez-Luengo, X. / Nin-Hill, A. / Streltsov, V.A. / Schwerdt, J.G. / Alonso-Gil, S. / Ketudat Cairns, J.R. / Pradeau, S. / Fort, S. / Marechal, J.D. ...Luang, S. / Fernandez-Luengo, X. / Nin-Hill, A. / Streltsov, V.A. / Schwerdt, J.G. / Alonso-Gil, S. / Ketudat Cairns, J.R. / Pradeau, S. / Fort, S. / Marechal, J.D. / Masgrau, L. / Rovira, C. / Hrmova, M.
External linksNat Commun / PubMed:36151080
MethodsX-ray diffraction
Resolution1.47 - 2.36 Å
Structure data

PDB-6jg1:
Crystal structure of barley exohydrolaseI wildtype in complex with 4I,4III,4V-S-trithiocellohexaose
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-6jg2:
Crystal structure of barley exohydrolaseI wildtype in complex with 4'-nitrophenyl thiolaminaribioside
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6jg6:
Crystal structure of barley exohydrolaseI W286A mutant in complex with methyl 6-thio-beta-gentiobioside
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-6jg7:
Crystal structure of barley exohydrolaseI W286F in complex with methyl 2-thio-beta-sophoroside
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-6jga:
Crystal structure of barley exohydrolaseI W286F in complex with 4'-nitrophenyl thiolaminaribioside
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-6jgb:
Crystal structure of barley exohydrolaseI W286F mutant in complex with methyl 6-thio-beta-gentiobioside
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-6jgc:
Crystal structure of barley exohydrolaseI W286Y mutant in complex with glucose.
Method: X-RAY DIFFRACTION / Resolution: 2.36 Å

PDB-6jgd:
Crystal structure of barley exohydrolaseI W286Y mutant in complex with methyl 6-thio-beta-gentiobioside
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-6jge:
Crystal structure of barley exohydrolaseI W434A mutant in complex with methyl 2-thio-beta-sophoroside.
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-6jgg:
Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 2-thio-beta-sophoroside.
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6jgk:
Crystal structure of barley exohydrolaseI W434F mutant in complex with 4I,4III,4V-S-trithiocellohexaose
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-6jgl:
Crystal structure of barley exohydrolaseI W434H mutant in complex with methyl 2-thio-beta-sophoroside
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-6jgn:
Crystal structure of barley exohydrolaseI W434H in complex with 4'-nitrophenyl thiolaminaribioside
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-6jgo:
Crystal structure of barley exohydrolaseI W434H mutant in complex with 4I,4III,4V-S-trithiocellohexaose
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-6jgp:
Crystal structure of barley exohydrolaseI W434H mutant in complex with methyl 6-thio-beta-gentiobioside.
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-6jgq:
Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 2-thio-beta-sophoroside.
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-6jgr:
Crystal structure of barley exohydrolaseI W434Y in complex with 4'-nitrophenyl thiolaminaribioside
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-6jgs:
Crystal structure of barley exohydrolaseI W434Y mutant in complex with 4I,4III,4V-S-trithiocellohexaose.
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-6jgt:
Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 6-thio-beta-gentiobioside.
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-6k6v:
Crystal structure of barley exohydrolaseI W434A mutant in complex with methyl 6-thio-beta-gentiobioside
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-6kuf:
Crystal structure of barley exohydrolaseI W434A mutant in complex with glucose.
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6l1j:
Crystal structure of barley exohydrolaseI W434A mutant in complex with 4'-nitrophenyl thiolaminaritrioside
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6lbb:
Crystal structure of barley exohydrolaseI W434A mutant in complex with 4I,4III,4V-S-trithiocellohexaose
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6lbv:
Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 6-thio-beta-gentiobioside
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-6lc5:
Crystal structure of barley exohydrolaseI W434F in complex with 4'-nitrophenyl thiolaminaribioside
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-BV6:
(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol

ChemComp-6BV:
(2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol

ChemComp-ACT:
ACETATE ION

ChemComp-GLC:
alpha-D-glucopyranose

ChemComp-LAM:
4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE

ChemComp-BGC:
beta-D-glucopyranose

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

Source
  • hordeum vulgare subsp. vulgare (domesticated barley)
KeywordsHYDROLASE / Barley exohydrolaseI / enzyme function

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