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Chlorine in PDB 5n6t: Thermotoga Maritima Family 1 Glycoside Hydrolase Complexed with A Cyclophellitol Analogue Transition State Mimic

Enzymatic activity of Thermotoga Maritima Family 1 Glycoside Hydrolase Complexed with A Cyclophellitol Analogue Transition State Mimic

All present enzymatic activity of Thermotoga Maritima Family 1 Glycoside Hydrolase Complexed with A Cyclophellitol Analogue Transition State Mimic:
3.2.1.21;

Protein crystallography data

The structure of Thermotoga Maritima Family 1 Glycoside Hydrolase Complexed with A Cyclophellitol Analogue Transition State Mimic, PDB code: 5n6t was solved by W.Offen, G.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.41 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 94.839, 94.840, 112.930, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 23.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Thermotoga Maritima Family 1 Glycoside Hydrolase Complexed with A Cyclophellitol Analogue Transition State Mimic (pdb code 5n6t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Thermotoga Maritima Family 1 Glycoside Hydrolase Complexed with A Cyclophellitol Analogue Transition State Mimic, PDB code: 5n6t:

Chlorine binding site 1 out of 1 in 5n6t

Go back to Chlorine Binding Sites List in 5n6t
Chlorine binding site 1 out of 1 in the Thermotoga Maritima Family 1 Glycoside Hydrolase Complexed with A Cyclophellitol Analogue Transition State Mimic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thermotoga Maritima Family 1 Glycoside Hydrolase Complexed with A Cyclophellitol Analogue Transition State Mimic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:49.6
occ:1.00
 O A:HOH742 3.0 48.6 1.0
N A:ARG137 3.3 23.4 1.0
O A:HOH679 3.3 34.6 1.0
O B:HOH620 3.3 31.4 1.0
CB A:ARG137 3.8 25.9 1.0
O A:HOH651 3.9 28.6 1.0
OD1 A:ASN136 3.9 19.7 1.0
CA A:ASN136 4.0 19.7 1.0
C A:ASN136 4.1 22.8 1.0
CB B:LEU130 4.2 22.7 1.0
CA A:ARG137 4.2 24.4 1.0
CG A:ARG137 4.2 28.5 1.0
O A:ALA135 4.2 20.5 1.0
CD1 B:LEU130 4.4 23.4 1.0
O A:HOH731 4.5 24.6 0.5
CG A:ASN136 4.6 19.6 1.0
CD A:ARG137 4.6 28.3 1.0
O B:LEU130 4.8 24.0 1.0
CG B:LYS131 4.9 27.1 1.0
CB A:ASN136 4.9 19.5 1.0
CG B:LEU130 4.9 24.3 1.0

Reference:

T.J.M.Beenakker, D.P.A.Wander, W.A.Offen, M.Artola, L.Raich, M.J.Ferraz, K.Y.Li, J.H.P.M.Houben, E.R.Van Rijssel, T.Hansen, G.A.Van Der Marel, J.D.C.Codee, J.M.F.G.Aerts, C.Rovira, G.J.Davies, H.S.Overkleeft. Carba-Cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors. J. Am. Chem. Soc. V. 139 6534 2017.
ISSN: ESSN 1520-5126
PubMed: 28463498
DOI: 10.1021/JACS.7B01773
Page generated: Sat Dec 12 12:08:37 2020

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