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

Protein crystallography data

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

Other elements in 6pky:

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

Chlorine Binding Sites:

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 6pky

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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 6pky

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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 6pky

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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 6pky

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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 6pky

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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 6pky

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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 6pky

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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 6pky

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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 6pky

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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 6pky

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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

Reference:

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.
Page generated: Mon Jul 29 13:23:08 2024

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