Chlorine 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:

Bromine

(Br)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 32 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 32 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 Chlorine with other atoms in the Cl 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:Cl403 b:28.2 occ:1.00 HZ1 A:LYS118 2.0 73.7 1.0 NZ A:LYS118 2.8 61.4 1.0 HZ2 A:LYS118 3.1 73.7 1.0 HE3 A:LYS118 3.2 82.4 1.0 HE2 A:LYS118 3.2 82.4 1.0 CE A:LYS118 3.3 68.7 1.0 HZ3 A:LYS118 3.4 73.7 1.0 OE2 A:GLU147 4.7 83.3 1.0 CD A:LYS118 4.8 47.5 1.0 CD A:GLU147 5.0 95.8 1.0

Chlorine binding site 2 out of 32 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 Chlorine with other atoms in the Cl 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 A:Cl404 b:34.8 occ:1.00 HD22 A:ASN167 3.0 55.9 1.0 HG A:SER200 3.4 70.0 1.0 ND2 A:ASN167 3.5 46.6 1.0 OG A:SER200 3.6 58.4 1.0 HD2 A:PHE140 3.8 52.9 1.0 HB2 A:ASN167 3.8 51.2 1.0 HB2 A:SER200 3.8 62.7 1.0 HD21 A:ASN167 3.9 55.9 1.0 HA3 A:GLY150 4.0 68.4 1.0 HB2 A:PHE140 4.0 64.1 1.0 HA2 A:GLY201 4.0 47.1 1.0 HB3 A:ASN167 4.2 51.2 1.0 CG A:ASN167 4.3 38.6 1.0 CB A:SER200 4.3 52.3 1.0 O A:SER200 4.3 44.1 1.0 CB A:ASN167 4.3 42.7 1.0 HG22 A:VAL202 4.3 68.3 1.0 O A:LEU149 4.3 64.9 1.0 CD2 A:PHE140 4.4 44.1 1.0 C A:SER200 4.4 43.4 1.0 N A:GLY201 4.5 44.7 1.0 H A:PHE140 4.6 61.8 1.0 HB2 A:LEU149 4.6 72.1 1.0 CA A:GLY201 4.6 39.3 1.0 C A:GLY201 4.7 43.6 1.0 CA A:GLY150 4.8 57.0 1.0 HG23 A:VAL202 4.8 68.3 1.0 C A:LEU149 4.8 56.5 1.0 O A:GLY201 4.8 55.3 1.0 CB A:PHE140 4.8 53.4 1.0 CG A:PHE140 4.9 55.0 1.0 H A:GLY201 4.9 53.6 1.0

Chlorine binding site 3 out of 32 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 Chlorine with other atoms in the Cl 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 A:Cl405 b:42.7 occ:1.00 O A:ASN63 3.6 74.7 1.0 OE1 A:GLU62 4.3 66.4 1.0 H A:ASN63 4.3 85.2 1.0 OD1 A:ASN63 4.4 87.8 1.0 HD3 A:PRO65 4.5 97.2 1.0 HD21 A:ASN63 4.7 96.1 1.0 C A:ASN63 4.8 73.5 1.0 CG A:ASN63 4.9 78.8 1.0 HA A:TRP64 5.0 79.9 1.0 ND2 A:ASN63 5.0 80.1 1.0

Chlorine binding site 4 out of 32 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 Chlorine with other atoms in the Cl 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 A:Cl406 b:47.1 occ:1.00 OE1 A:GLN262 3.0 77.2 1.0 HE22 A:GLN262 3.0 64.4 1.0 HH22 A:ARG263 3.4 81.2 1.0 HH12 A:ARG263 3.5 67.8 1.0 NE2 A:GLN262 3.6 53.7 1.0 CD A:GLN262 3.6 58.6 1.0 HE1 B:HIS84 3.8 71.8 1.0 HG2 A:GLN259 3.8 52.8 1.0 HH22 A:ARG313 3.9 51.8 1.0 NH2 A:ARG263 4.0 67.7 1.0 HE1 A:HIS306 4.0 63.1 1.0 NH1 A:ARG263 4.1 56.5 1.0 HE21 A:GLN262 4.3 64.4 1.0 CZ A:ARG263 4.4 67.0 1.0 NH2 A:ARG313 4.4 43.2 1.0 CD A:GLN259 4.5 51.4 1.0 CL A:CL407 4.5 49.0 1.0 HH21 A:ARG313 4.5 51.8 1.0 OE1 A:GLN259 4.5 50.2 1.0 HH21 A:ARG263 4.6 81.2 1.0 CG A:GLN259 4.6 44.0 1.0 CE1 B:HIS84 4.6 59.8 1.0 HH11 A:ARG263 4.7 67.8 1.0 CE1 A:HIS306 4.8 52.6 1.0 NE2 A:GLN259 4.9 54.9 1.0

Chlorine binding site 5 out of 32 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 Chlorine with other atoms in the Cl binding site number 5 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:Cl407 b:49.0 occ:1.00 HE1 B:HIS84 4.3 71.8 1.0 CL A:CL406 4.5 47.1 1.0

Chlorine binding site 6 out of 32 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 Chlorine with other atoms in the Cl binding site number 6 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:Cl408 b:52.5 occ:1.00 HE A:ARG88 3.1 67.8 1.0 HG3 A:ARG88 3.5 73.8 1.0 O A:GLY86 3.8 72.7 1.0 NE A:ARG88 3.9 56.5 1.0 HD3 A:ARG88 3.9 60.5 1.0 CD A:ARG88 4.2 50.5 1.0 CG A:ARG88 4.3 61.6 1.0 HH21 A:ARG88 4.6 87.8 1.0 HG2 A:ARG88 4.8 73.8 1.0 HE1 A:MET237 4.9 78.6 1.0 HA3 A:GLY87 4.9 77.4 1.0 CZ A:ARG88 5.0 60.1 1.0

Chlorine binding site 7 out of 32 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 Chlorine with other atoms in the Cl binding site number 7 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:Cl409 b:39.3 occ:1.00 HB3 A:ALA131 3.8 56.4 1.0 O A:PRO327 4.0 64.2 1.0 HD1 A:HIS325 4.1 78.8 1.0 HA A:PRO327 4.1 75.0 1.0 HB1 A:ALA131 4.4 56.4 1.0 CB A:ALA131 4.5 47.0 1.0 ND1 A:HIS325 4.7 65.7 1.0 O A:GLU326 4.7 55.7 1.0 C A:PRO327 4.8 65.4 1.0 O A:ALA131 4.8 41.4 1.0 HB2 A:HIS325 4.8 49.2 1.0 CA A:PRO327 4.9 62.5 1.0 O A:ALA130 4.9 32.0 1.0 HB2 A:ALA131 5.0 56.4 1.0

Chlorine binding site 8 out of 32 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 Chlorine with other atoms in the Cl binding site number 8 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:Cl410 b:43.8 occ:1.00 HE1 B:TRP312 3.0 55.1 1.0 HG3 A:ARG79 3.0 69.0 1.0 HE A:ARG79 3.2 70.4 1.0 HZ2 B:TRP312 3.5 71.8 1.0 NE1 B:TRP312 3.6 45.9 1.0 CG A:ARG79 3.8 57.5 1.0 NE A:ARG79 3.9 58.7 1.0 HG2 A:ARG79 4.0 69.0 1.0 CZ2 B:TRP312 4.1 59.9 1.0 CE2 B:TRP312 4.1 53.1 1.0 CD A:ARG79 4.3 54.6 1.0 HD2 A:ARG79 4.4 65.5 1.0 HH11 A:ARG96 4.4 1.0 1.0 HH21 A:ARG79 4.5 0.5 1.0 HD23 A:LEU94 4.6 72.7 1.0 CD1 B:TRP312 4.6 53.6 1.0 CZ A:ARG79 4.8 72.9 1.0 OE1 A:GLN277 4.9 72.8 1.0 HD1 B:TRP312 4.9 64.3 1.0 HB1 A:ALA77 4.9 69.5 1.0 NH2 A:ARG79 4.9 85.4 1.0

Chlorine binding site 9 out of 32 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 Chlorine with other atoms in the Cl binding site number 9 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:Cl405 b:32.3 occ:1.00 O B:GLY29 3.6 56.8 1.0 HA3 B:GLY29 3.7 57.9 1.0 OE2 B:GLU125 4.1 77.4 1.0 HA2 B:GLY29 4.1 57.9 1.0 C B:GLY29 4.1 53.4 1.0 HG23 B:THR122 4.1 48.3 1.0 CA B:GLY29 4.2 48.3 1.0 HD3 B:ARG317 4.4 58.8 1.0 HG21 B:THR122 4.4 48.3 1.0 HG1 B:THR122 4.6 39.4 1.0 CG2 B:THR122 4.7 40.3 1.0 HB2 B:GLU125 4.9 35.5 1.0 OG1 B:THR122 5.0 32.9 1.0

Chlorine binding site 10 out of 32 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 Chlorine with other atoms in the Cl binding site number 10 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:Cl406 b:36.4 occ:1.00 H B:ARG158 3.1 66.6 1.0 HB3 B:ARG157 3.3 55.9 1.0 HA B:ARG157 3.3 57.9 1.0 HG2 B:ARG157 3.4 67.2 1.0 N B:ARG158 3.7 55.6 1.0 CB B:ARG157 3.8 46.6 1.0 CA B:ARG157 3.9 48.2 1.0 HB2 B:ARG158 4.0 50.1 1.0 CG B:ARG157 4.1 56.0 1.0 O B:ARG158 4.2 49.9 1.0 C B:ARG157 4.2 52.9 1.0 HE B:ARG157 4.4 60.2 1.0 HA D:PRO327 4.4 65.4 1.0 HD1 D:HIS325 4.5 1.0 1.0 CA B:ARG158 4.7 44.3 1.0 HG3 B:ARG157 4.7 67.2 1.0 HB2 B:ARG157 4.7 55.9 1.0 CB B:ARG158 4.8 41.8 1.0 O D:PRO327 4.8 56.8 1.0 C B:ARG158 4.9 39.9 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.