Chlorine in PDB 3u57: Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity

All present enzymatic activity of Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity:
3.2.1.125;

The structure of Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity, PDB code: 3u57 was solved by L.Xia, M.Ruppert, M.Wang, S.Panjikar, H.Lin, C.Rajendran, L.Barleben, J.Stoeckigt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.16 / 2.43
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	104.885, 129.552, 216.918, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.8

The binding sites of Chlorine atom in the Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity (pdb code 3u57). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity, PDB code: 3u57:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl514 b:30.2 occ:1.00 N A:SER109 3.7 24.8 1.0 NH2 A:ARG107 3.7 31.9 1.0 OG A:SER109 3.7 28.4 1.0 CB A:SER109 3.8 25.5 1.0 NE A:ARG107 3.8 31.0 1.0 O A:HOH556 3.9 39.7 1.0 CZ A:ARG107 4.2 31.0 1.0 N A:LEU108 4.3 23.9 1.0 CA A:SER109 4.3 25.3 1.0 CB A:ARG107 4.4 22.4 1.0 CB A:LEU108 4.5 24.8 1.0 C A:LEU108 4.6 24.4 1.0 CA A:LEU108 4.7 24.5 1.0 CD A:ARG107 5.0 28.4 1.0 CG A:ARG107 5.0 24.4 1.0 C A:ARG107 5.0 22.9 1.0

Chlorine binding site 2 out of 2 in the Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl514 b:34.7 occ:1.00 OG B:SER109 3.3 28.3 1.0 N B:SER109 3.4 27.6 1.0 CB B:SER109 3.5 27.2 1.0 NE B:ARG107 3.6 34.5 1.0 NH2 B:ARG107 3.6 34.3 1.0 CA B:SER109 4.0 27.3 1.0 CZ B:ARG107 4.0 34.9 1.0 N B:LEU108 4.1 26.6 1.0 CB B:ARG107 4.3 26.3 1.0 CB B:LEU108 4.3 27.0 1.0 C B:LEU108 4.3 27.6 1.0 CA B:LEU108 4.4 27.5 1.0 C B:ARG107 4.6 26.1 1.0 CG B:ARG107 4.7 28.3 1.0 CD B:ARG107 4.7 31.7 1.0

L.Xia, M.Ruppert, M.Wang, S.Panjikar, H.Lin, C.Rajendran, L.Barleben, J.Stockigt. Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity. Acs Chem.Biol. V. 7 226 2012.
ISSN: ISSN 1554-8929
PubMed: 22004291
DOI: 10.1021/CB200267W