Bromine in PDB 6pky: Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide

The structure of Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide, PDB code: 6pky was solved by A.Gorelik, K.Illes, B.Nagar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.23 / 3.00
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	72.622, 72.622, 240.691, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 25.8

The structure of Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide also contains other interesting chemical elements:

Chlorine

(Cl)

32 atoms

The binding sites of Bromine atom in the Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide (pdb code 6pky). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide, PDB code: 6pky:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br402 b:70.7 occ:1.00 H A:ARG44 2.2 62.2 1.0 HD3 A:ARG44 2.9 56.1 1.0 HB2 A:ARG44 3.0 63.7 1.0 N A:ARG44 3.1 51.8 1.0 HA A:ALA43 3.1 62.7 1.0 HD13 A:LEU149 3.2 86.8 1.0 CB A:ARG44 3.7 53.1 1.0 HG3 A:ARG44 3.7 53.0 1.0 CD A:ARG44 3.7 46.8 1.0 HD1 A:TYR40 3.8 62.8 1.0 CA A:ARG44 3.9 44.3 1.0 CG A:ARG44 3.9 44.2 1.0 CD1 A:LEU149 3.9 72.3 1.0 CA A:ALA43 3.9 52.3 1.0 HD11 A:LEU149 4.0 86.8 1.0 C A:ALA43 4.0 58.5 1.0 O A:ARG44 4.1 54.9 1.0 HB1 A:ALA43 4.1 57.3 1.0 HD12 A:LEU149 4.1 86.8 1.0 HE A:ARG44 4.1 54.8 1.0 HB2 A:TYR40 4.2 51.8 1.0 NE A:ARG44 4.4 45.7 1.0 HD2 A:ARG44 4.4 56.1 1.0 C A:ARG44 4.4 50.5 1.0 CD1 A:TYR40 4.5 52.4 1.0 CB A:ALA43 4.5 47.8 1.0 HB3 A:ARG44 4.5 63.7 1.0 HE A:ARG142 4.5 80.6 1.0 HA A:ARG44 4.7 53.1 1.0 O A:ARG42 4.8 66.4 1.0 HB2 A:ALA43 4.8 57.3 1.0 HG2 A:ARG44 4.9 53.0 1.0 O A:HOH506 4.9 35.3 1.0

Bromine binding site 2 out of 4 in the Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br404 b:75.2 occ:1.00 HH21 B:ARG44 2.3 83.2 1.0 HE B:ARG44 2.7 88.0 1.0 HD1 B:TYR40 2.7 77.6 1.0 NH2 B:ARG44 3.1 69.4 1.0 NE B:ARG44 3.3 73.4 1.0 HB2 B:TYR40 3.4 89.2 1.0 H B:ARG44 3.4 97.2 1.0 CD1 B:TYR40 3.5 64.7 1.0 HA B:ALA43 3.5 92.4 1.0 HD13 B:LEU149 3.6 61.6 1.0 CZ B:ARG44 3.6 71.3 1.0 HH22 B:ARG44 3.7 83.2 1.0 HE B:ARG142 3.8 51.8 1.0 HH21 B:ARG142 4.2 81.5 1.0 CB B:TYR40 4.2 74.4 1.0 HE1 B:TYR40 4.3 85.3 1.0 N B:ARG44 4.3 81.0 1.0 CG B:TYR40 4.3 67.8 1.0 HD11 B:LEU149 4.3 61.6 1.0 CE1 B:TYR40 4.3 71.1 1.0 CD1 B:LEU149 4.4 51.4 1.0 HG3 B:ARG44 4.5 99.7 1.0 HB2 B:ARG44 4.5 95.7 1.0 CA B:ALA43 4.5 77.0 1.0 O B:TYR40 4.5 87.3 1.0 CD B:ARG44 4.6 74.0 1.0 NE B:ARG142 4.6 43.2 1.0 HD12 B:LEU149 4.7 61.6 1.0 HB3 B:TYR40 4.8 89.2 1.0 HD3 B:ARG44 4.8 88.8 1.0 HB1 B:ALA43 4.9 90.4 1.0 NH2 B:ARG142 4.9 68.0 1.0 H B:TYR40 4.9 85.0 1.0 NH1 B:ARG44 4.9 63.7 1.0 CG B:ARG44 4.9 83.1 1.0 O B:ARG42 4.9 78.2 1.0 C B:ALA43 5.0 81.2 1.0

Bromine binding site 3 out of 4 in the Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Br402 b:97.3 occ:1.00 HH21 C:ARG142 2.8 66.2 1.0 H C:ARG44 3.1 91.1 1.0 HA C:ALA43 3.1 60.2 1.0 HB1 C:ALA43 3.1 71.9 1.0 HD13 C:LEU149 3.2 78.9 1.0 NH2 C:ARG142 3.4 55.2 1.0 HG2 C:ARG44 3.5 90.2 1.0 N C:ARG44 3.6 75.9 1.0 HH22 C:ARG142 3.7 66.2 1.0 O C:ARG44 3.7 80.9 1.0 HD22 C:LEU149 3.7 72.7 1.0 CA C:ALA43 3.7 50.2 1.0 CB C:ALA43 3.8 60.0 1.0 HD11 C:LEU149 3.9 78.9 1.0 CD1 C:LEU149 4.0 65.8 1.0 HB2 C:ALA43 4.0 71.9 1.0 C C:ALA43 4.1 64.5 1.0 HD2 C:TYR40 4.2 66.0 1.0 HG3 C:ARG44 4.2 90.2 1.0 HE C:ARG142 4.2 70.4 1.0 CG C:ARG44 4.3 75.2 1.0 HD21 C:LEU149 4.3 72.7 1.0 CD2 C:LEU149 4.4 60.6 1.0 CZ C:ARG142 4.4 65.9 1.0 C C:ARG44 4.5 81.3 1.0 CA C:ARG44 4.5 75.8 1.0 HB3 C:ALA43 4.6 71.9 1.0 HD12 C:LEU149 4.6 78.9 1.0 NE C:ARG142 4.7 58.7 1.0 HB2 C:TYR40 4.7 69.0 1.0 HE C:ARG44 4.8 76.5 1.0 CG C:LEU149 4.8 60.5 1.0 O C:HOH516 4.8 33.9 1.0 HB3 C:LEU149 4.9 68.3 1.0 CD2 C:TYR40 4.9 55.0 1.0 CB C:ARG44 5.0 75.5 1.0

Bromine binding site 4 out of 4 in the Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N- Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro- Peptide within 5.0Å range: probe atom residue distance (Å) B Occ D:Br401 b:1.0 occ:1.00 HH21 D:ARG44 2.9 75.0 1.0 O D:HOH533 2.9 33.7 1.0 HD2 D:TYR40 3.1 89.6 1.0 HE D:ARG44 3.2 77.2 1.0 HA D:ALA43 3.3 82.1 1.0 HD13 D:LEU149 3.3 40.1 1.0 HB2 D:TYR40 3.3 80.0 1.0 H D:ARG44 3.6 87.7 1.0 NH2 D:ARG44 3.6 62.6 1.0 NE D:ARG44 3.9 64.3 1.0 CD2 D:TYR40 4.0 74.7 1.0 HD11 D:LEU149 4.0 40.1 1.0 O D:TYR40 4.0 69.6 1.0 CD1 D:LEU149 4.0 33.5 1.0 CZ D:ARG44 4.2 57.2 1.0 HH21 D:ARG46 4.2 30.8 1.0 CB D:TYR40 4.2 66.7 1.0 CA D:ALA43 4.2 68.4 1.0 HH22 D:ARG44 4.2 75.0 1.0 HE D:ARG142 4.3 58.5 1.0 N D:ARG44 4.4 73.1 1.0 HD12 D:LEU149 4.5 40.1 1.0 CG D:TYR40 4.6 74.7 1.0 HB1 D:ALA43 4.6 72.0 1.0 H D:TYR40 4.7 77.8 1.0 HD22 D:LEU149 4.7 48.0 1.0 HB2 D:ALA43 4.7 72.0 1.0 HD21 D:LEU149 4.7 48.0 1.0 HG3 D:ARG44 4.7 86.4 1.0 HB3 D:TYR40 4.8 80.0 1.0 O D:ARG42 4.8 76.2 1.0 CB D:ALA43 4.8 60.0 1.0 C D:ALA43 4.9 71.8 1.0 C D:TYR40 4.9 65.2 1.0 HB2 D:ARG44 4.9 74.7 1.0 HE2 D:TYR40 4.9 83.7 1.0 CE2 D:TYR40 4.9 69.8 1.0 NH2 D:ARG46 5.0 25.7 1.0 CL D:CL405 5.0 17.0 1.0

A.Gorelik, K.Illes, B.Nagar. Guinea Pig N-Acetylglucosamine-1-Phosphodiester Alpha-N-Acetylglucosaminidase (Nagpa) Catalytic Domain Auto-Inhibited By Pro-Peptide To Be Published.