Bromine in PDB 8k2m: Crystal Structure of Group 4 Monosaccharide-Releasing Beta-N- Acetylgalactosaminidase NGAP2 From Paenibacillus Sp. TS12 in Complex with Galnac-Thiazoline

The structure of Crystal Structure of Group 4 Monosaccharide-Releasing Beta-N- Acetylgalactosaminidase NGAP2 From Paenibacillus Sp. TS12 in Complex with Galnac-Thiazoline, PDB code: 8k2m was solved by T.Sumida, S.Fushinobu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.15 / 1.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.975, 61.608, 100.453, 90, 121.43, 90
R / Rfree (%)	16.8 / 19.5

The binding sites of Bromine atom in the Crystal Structure of Group 4 Monosaccharide-Releasing Beta-N- Acetylgalactosaminidase NGAP2 From Paenibacillus Sp. TS12 in Complex with Galnac-Thiazoline (pdb code 8k2m). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Group 4 Monosaccharide-Releasing Beta-N- Acetylgalactosaminidase NGAP2 From Paenibacillus Sp. TS12 in Complex with Galnac-Thiazoline, PDB code: 8k2m:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Group 4 Monosaccharide-Releasing Beta-N- Acetylgalactosaminidase NGAP2 From Paenibacillus Sp. TS12 in Complex with Galnac-Thiazoline


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Group 4 Monosaccharide-Releasing Beta-N- Acetylgalactosaminidase NGAP2 From Paenibacillus Sp. TS12 in Complex with Galnac-Thiazoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Br602 b:24.6 occ:1.00 N A:THR190 3.4 20.5 1.0 NZ A:LYS524 3.4 26.1 1.0 O A:HOH866 3.4 24.0 1.0 N A:LEU191 3.5 19.3 1.0 CE A:LYS524 3.8 26.0 1.0 CD A:LYS524 3.8 23.4 1.0 CA A:GLN189 3.8 22.6 1.0 CG A:ARG521 3.8 20.3 1.0 CG A:GLN189 3.8 18.9 1.0 OG1 A:THR190 3.9 26.0 1.0 CD2 A:LEU520 3.9 21.6 1.0 CG A:LEU520 4.0 19.7 1.0 CB A:LEU191 4.0 18.4 1.0 C A:GLN189 4.1 20.0 1.0 CA A:THR190 4.3 21.6 1.0 C A:THR190 4.3 20.2 1.0 CB A:GLN189 4.3 19.5 1.0 CA A:LEU191 4.4 19.2 1.0 CA A:ARG521 4.7 18.9 1.0 CB A:THR190 4.7 24.4 1.0 N A:ARG521 4.7 18.1 1.0 CB A:ARG521 4.8 19.2 1.0 CD A:ARG521 4.9 20.3 1.0 CG A:LYS524 4.9 21.4 1.0 O A:HOH896 4.9 26.0 1.0 O A:GLU188 4.9 23.4 1.0 CD1 A:LEU520 4.9 21.6 1.0 C A:LEU520 5.0 17.8 1.0 CB A:LEU520 5.0 18.8 1.0 N A:GLN189 5.0 23.3 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Group 4 Monosaccharide-Releasing Beta-N- Acetylgalactosaminidase NGAP2 From Paenibacillus Sp. TS12 in Complex with Galnac-Thiazoline


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Group 4 Monosaccharide-Releasing Beta-N- Acetylgalactosaminidase NGAP2 From Paenibacillus Sp. TS12 in Complex with Galnac-Thiazoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Br603 b:53.1 occ:1.00 N A:ASP21 3.4 33.3 1.0 NE2 A:GLN65 3.7 40.6 1.0 CG A:PRO64 3.8 27.6 1.0 CG A:GLN65 3.9 29.1 1.0 CB A:ASP21 3.9 36.5 1.0 CG A:ASP21 4.0 42.5 1.0 CB A:PRO64 4.0 26.9 1.0 CA A:PRO20 4.0 39.1 1.0 OD2 A:ASP21 4.2 46.5 1.0 CD A:PRO64 4.2 27.8 1.0 C A:PRO20 4.2 32.7 1.0 CA A:ASP21 4.2 30.9 1.0 CD A:GLN65 4.3 38.4 1.0 OD1 A:ASP21 4.4 44.3 1.0 CB A:PRO20 4.5 38.2 1.0

T.Sumida, S.Hiraoka, K.Usui, A.Ishiwata, T.Sengoku, K.A.Stubbs, K.Tanaka, S.Deguchi, S.Fushinobu, T.Nunoura. Genetic and Functional Diversity of Beta-N-Acetylgalactosamine Residue-Targeting Glycosidases Expanded By Deep-Sea Metagenome To Be Published.