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PDBe Entry: 2vr4 
TRANSITION-STATE MIMICRY IN MANNOSIDE HYDROLYSIS: CHARACTERISATION OF TWENTY SIX INHIBITORS AND INSIGHT INTO BINDING FROM LINEAR FREE ENERGY RELATIONSHIPS AND 3-D STRUCTURE
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HYDROLASE
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X-RAY DIFFRACTION
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Resolution: 1.8 Å, R-factor: 17.9%, Free R-factor: 22.2%, Spacegroup: P 1 21 1
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08/04/2008, deposition: 25/03/2008, last revision: 24/02/2009
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Tailford, L.E.; Offen, W.A.; Smith, N.L.; Dumon, C.; Moreland, C.; Gratien, J.; Heck, M.P.; Stick, R.V.; Bleriot, Y.; Vasella, A.; Gilbert, H.J.; Davies, G.J.
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Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
NAT.CHEM.BIOL. vol:4, pag:306 (2008) [PubMed ID 18408714 ]
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LINEAR FREE ENERGY RELATIONSHIP, HYDROLASE, TRANSITION STATE MIMIC, MANNOSIDASE, GLYCOSIDE HYDROLASE
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Bacteroides thetaiotaomicron VPI-5482 226186(A B)
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Beta-mannosidase Q8AAK6 (A B)
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A, B
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2vot, 2vqt, 2vl4, 2vqu, 2vo5, 2je8, 2vjx, 2vmf
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| A, B |
BETA-MANNOSIDASE |
Protein |
Q8AAK6 (Q8AAK6_BACTN)
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846 |
99% |
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| A, B |
(2Z,3R,4S,5R,6R)-2-[(4-AMINOBUTYL)IMINO]-6-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL |
17B
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| A, B |
1,2-ETHANEDIOL |
EDO
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| A, B |
BROMIDE ION |
BR
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| A, B |
CHLORIDE ION |
CL
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