Chlorine in PDB 7xjb: Rat-Comt, Opicapone,Sam and Mg Bond

Enzymatic activity of Rat-Comt, Opicapone,Sam and Mg Bond

All present enzymatic activity of Rat-Comt, Opicapone,Sam and Mg Bond:
2.1.1.6;

Protein crystallography data

The structure of Rat-Comt, Opicapone,Sam and Mg Bond, PDB code: 7xjb was solved by K.Takebe, H.Iijima, M.Suzuki, N.Uzawa, T.Kuwada-Kusunose, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 12.00 / 2.60
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 166.158, 166.158, 125.931, 90, 90, 90
R / Rfree (%) 16.2 / 19.4

Other elements in 7xjb:

The structure of Rat-Comt, Opicapone,Sam and Mg Bond also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Rat-Comt, Opicapone,Sam and Mg Bond (pdb code 7xjb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Rat-Comt, Opicapone,Sam and Mg Bond, PDB code: 7xjb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 7xjb

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Chlorine binding site 1 out of 13 in the Rat-Comt, Opicapone,Sam and Mg Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rat-Comt, Opicapone,Sam and Mg Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:55.5
occ:1.00
 CL1 A:DNI302 0.0 55.5 1.0
C07 A:DNI302 1.8 51.6 1.0
C02 A:DNI302 2.7 50.2 1.0
C06 A:DNI302 2.8 49.3 1.0
C01 A:DNI302 3.1 49.1 1.0
SD A:MET201 3.1 58.4 1.0
C09 A:DNI302 3.1 48.1 1.0
CL1 B:DNI302 3.3 57.7 1.0
CE A:MET201 3.8 59.1 1.0
C03 A:DNI302 3.9 49.9 1.0
C07 B:DNI302 4.0 51.5 1.0
N05 A:DNI302 4.0 49.9 1.0
CD2 A:LEU198 4.2 37.6 1.0
C01 B:DNI302 4.3 45.3 1.0
C02 B:DNI302 4.3 48.5 1.0
CE B:MET201 4.4 57.4 1.0
C04 A:DNI302 4.4 49.8 1.0
CG2 A:VAL203 4.6 37.9 1.0
CG A:MET201 4.7 50.0 1.0
C06 B:DNI302 4.8 49.4 1.0
SD B:MET201 5.0 57.7 1.0

Chlorine binding site 2 out of 13 in 7xjb

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Chlorine binding site 2 out of 13 in the Rat-Comt, Opicapone,Sam and Mg Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rat-Comt, Opicapone,Sam and Mg Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:52.3
occ:1.00
 CL2 A:DNI302 0.0 52.3 1.0
C04 A:DNI302 1.8 49.8 1.0
N05 A:DNI302 2.7 49.9 1.0
C03 A:DNI302 2.8 49.9 1.0
O10 A:DNI302 2.9 53.5 1.0
C12 A:DNI302 3.0 45.8 1.0
N13 A:DNI302 3.3 43.7 1.0
CZ3 B:TRP38 3.7 38.3 1.0
CE3 B:TRP38 3.8 38.3 1.0
N16 A:DNI302 3.8 44.2 1.0
CG1 A:VAL173 3.9 35.3 1.0
CG A:PRO174 3.9 34.3 1.0
C06 A:DNI302 3.9 49.3 1.0
CA A:PRO174 3.9 38.8 1.0
CB A:PRO174 3.9 36.0 1.0
C02 A:DNI302 4.0 50.2 1.0
O14 A:DNI302 4.2 44.0 1.0
C07 A:DNI302 4.4 51.6 1.0
C15 A:DNI302 4.5 43.1 1.0
N A:PRO174 4.5 37.6 1.0
CD A:PRO174 4.6 35.3 1.0
CH2 B:TRP38 4.8 39.6 1.0
CD2 B:TRP38 4.9 39.7 1.0

Chlorine binding site 3 out of 13 in 7xjb

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Chlorine binding site 3 out of 13 in the Rat-Comt, Opicapone,Sam and Mg Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Rat-Comt, Opicapone,Sam and Mg Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:52.8
occ:1.00
 N A:ASP44 3.4 42.7 1.0
N A:ALA45 3.7 38.8 1.0
N A:TYR200 3.7 37.6 1.0
O A:HOH417 3.8 41.6 1.0
CB A:ASP44 3.9 45.1 1.0
CA A:ASP44 4.0 43.6 1.0
CD1 A:TYR200 4.1 41.0 1.0
C A:GLY43 4.3 39.0 1.0
CA A:TYR200 4.3 37.4 1.0
CE1 A:TYR200 4.3 39.8 1.0
C A:ASP44 4.4 40.9 1.0
CA A:GLY43 4.4 37.5 1.0
CB A:ALA45 4.5 26.4 1.0
CA A:GLU199 4.6 35.6 1.0
C A:GLU199 4.7 38.9 1.0
CA A:ALA45 4.7 36.1 1.0
CG A:TYR200 4.9 38.5 1.0

Chlorine binding site 4 out of 13 in 7xjb

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Chlorine binding site 4 out of 13 in the Rat-Comt, Opicapone,Sam and Mg Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Rat-Comt, Opicapone,Sam and Mg Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:57.7
occ:1.00
 CL1 B:DNI302 0.0 57.7 1.0
C07 B:DNI302 1.8 51.5 1.0
C02 B:DNI302 2.7 48.5 1.0
C06 B:DNI302 2.8 49.4 1.0
C01 B:DNI302 3.1 45.3 1.0
SD B:MET201 3.1 57.7 1.0
C09 B:DNI302 3.1 49.9 1.0
CL1 A:DNI302 3.3 55.5 1.0
CE B:MET201 3.7 57.4 1.0
C03 B:DNI302 3.9 46.5 1.0
N05 B:DNI302 4.0 48.9 1.0
C07 A:DNI302 4.1 51.6 1.0
CD2 B:LEU198 4.2 32.1 1.0
CG2 B:VAL203 4.4 44.0 1.0
C04 B:DNI302 4.4 48.1 1.0
CG B:MET201 4.5 50.8 1.0
CE A:MET201 4.6 59.1 1.0
C01 A:DNI302 4.6 49.1 1.0
C02 A:DNI302 4.6 50.2 1.0
C06 A:DNI302 4.9 49.3 1.0

Chlorine binding site 5 out of 13 in 7xjb

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Chlorine binding site 5 out of 13 in the Rat-Comt, Opicapone,Sam and Mg Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Rat-Comt, Opicapone,Sam and Mg Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:52.6
occ:1.00
 CL2 B:DNI302 0.0 52.6 1.0
C04 B:DNI302 1.8 48.1 1.0
N05 B:DNI302 2.7 48.9 1.0
C03 B:DNI302 2.7 46.5 1.0
C12 B:DNI302 2.9 44.6 1.0
O10 B:DNI302 3.0 52.0 1.0
N13 B:DNI302 3.1 45.8 1.0
CG B:PRO174 3.6 30.3 1.0
N16 B:DNI302 3.7 44.1 1.0
CB B:PRO174 3.8 29.8 1.0
CZ3 A:TRP38 3.8 38.9 1.0
CG1 B:VAL173 3.9 32.4 1.0
CA B:PRO174 3.9 34.2 1.0
C06 B:DNI302 3.9 49.4 1.0
CE3 A:TRP38 3.9 37.6 1.0
O14 B:DNI302 4.0 45.3 1.0
C02 B:DNI302 4.0 48.5 1.0
C15 B:DNI302 4.3 43.3 1.0
N B:PRO174 4.4 37.7 1.0
CD B:PRO174 4.5 32.4 1.0
C07 B:DNI302 4.5 51.5 1.0
CH2 A:TRP38 4.9 39.4 1.0
CD2 A:TRP38 5.0 39.8 1.0

Chlorine binding site 6 out of 13 in 7xjb

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Chlorine binding site 6 out of 13 in the Rat-Comt, Opicapone,Sam and Mg Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Rat-Comt, Opicapone,Sam and Mg Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:52.8
occ:1.00
 N B:TYR200 3.6 39.0 1.0
N B:ASP44 3.7 42.1 1.0
O B:HOH443 3.8 43.2 1.0
N B:ALA45 3.8 36.3 1.0
CD1 B:TYR200 4.2 35.8 1.0
CB B:ASP44 4.2 42.2 1.0
CA B:TYR200 4.3 40.3 1.0
CA B:ASP44 4.4 40.4 1.0
CB B:ALA45 4.4 31.6 1.0
CE1 B:TYR200 4.5 34.8 1.0
C B:GLY43 4.5 40.9 1.0
C B:ASP44 4.6 37.5 1.0
CA B:GLU199 4.6 36.9 1.0
C B:GLU199 4.6 39.5 1.0
CA B:GLY43 4.7 38.2 1.0
CA B:ALA45 4.8 37.7 1.0
CG B:TYR200 4.9 37.0 1.0

Chlorine binding site 7 out of 13 in 7xjb

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Chlorine binding site 7 out of 13 in the Rat-Comt, Opicapone,Sam and Mg Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Rat-Comt, Opicapone,Sam and Mg Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:57.6
occ:1.00
 CL1 C:DNI302 0.0 57.6 1.0
C07 C:DNI302 1.8 52.2 1.0
C02 C:DNI302 2.7 46.0 1.0
C06 C:DNI302 2.8 51.0 1.0
C09 C:DNI302 3.1 49.9 1.0
C01 C:DNI302 3.2 38.9 1.0
SD C:MET201 3.2 57.8 1.0
CG B:GLU37 3.8 42.7 1.0
O B:LYS36 3.8 46.5 1.0
CE C:MET201 3.8 58.3 1.0
C03 C:DNI302 3.9 43.9 1.0
N05 C:DNI302 4.0 50.1 1.0
CD B:GLU37 4.4 45.0 1.0
C04 C:DNI302 4.5 43.6 1.0
OE1 B:GLU37 4.5 47.3 1.0
CG C:MET201 4.9 48.6 1.0
C B:LYS36 4.9 44.2 1.0
CB B:GLU37 4.9 37.2 1.0

Chlorine binding site 8 out of 13 in 7xjb

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Chlorine binding site 8 out of 13 in the Rat-Comt, Opicapone,Sam and Mg Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Rat-Comt, Opicapone,Sam and Mg Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:45.4
occ:1.00
 CL2 C:DNI302 0.0 45.4 1.0
C04 C:DNI302 1.8 43.6 1.0
N05 C:DNI302 2.7 50.1 1.0
C03 C:DNI302 2.7 43.9 1.0
C12 C:DNI302 2.9 45.5 1.0
O10 C:DNI302 3.0 56.0 1.0
N16 C:DNI302 3.2 45.3 1.0
CG1 C:VAL173 3.3 33.0 1.0
CG2 A:ILE172 3.6 27.8 1.0
N13 C:DNI302 3.7 47.5 1.0
CG C:PRO174 3.7 36.9 1.0
C06 C:DNI302 3.9 51.0 1.0
C02 C:DNI302 4.0 46.0 1.0
CD1 A:ILE172 4.1 34.4 1.0
C15 C:DNI302 4.1 45.9 1.0
CA C:PRO174 4.1 36.6 1.0
N C:PRO174 4.2 37.4 1.0
CB C:PRO174 4.2 35.5 1.0
CD C:PRO174 4.2 36.9 1.0
O14 C:DNI302 4.3 48.0 1.0
CG1 A:ILE172 4.4 35.6 1.0
CD2 C:LEU198 4.5 38.0 1.0
C07 C:DNI302 4.5 52.2 1.0
CB A:ILE172 4.6 34.8 1.0
C C:VAL173 4.7 37.1 1.0
CB C:VAL173 4.7 36.1 1.0

Chlorine binding site 9 out of 13 in 7xjb

Go back to Chlorine Binding Sites List in 7xjb
Chlorine binding site 9 out of 13 in the Rat-Comt, Opicapone,Sam and Mg Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Rat-Comt, Opicapone,Sam and Mg Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl304

b:49.0
occ:1.00
 N C:TYR200 3.6 40.2 1.0
N C:ASP44 3.6 41.9 1.0
N C:ALA45 3.8 41.2 1.0
CD1 C:TYR200 4.0 39.2 1.0
CA C:TYR200 4.2 38.0 1.0
CB C:ASP44 4.2 47.7 1.0
CE1 C:TYR200 4.3 40.4 1.0
CA C:ASP44 4.3 43.5 1.0
CB C:ALA45 4.4 30.0 1.0
C C:GLY43 4.5 41.3 1.0
CA C:GLU199 4.5 39.3 1.0
CA C:GLY43 4.6 37.0 1.0
C C:GLU199 4.6 40.8 1.0
C C:ASP44 4.6 43.7 1.0
CA C:ALA45 4.7 41.6 1.0
CG C:TYR200 4.8 40.1 1.0

Chlorine binding site 10 out of 13 in 7xjb

Go back to Chlorine Binding Sites List in 7xjb
Chlorine binding site 10 out of 13 in the Rat-Comt, Opicapone,Sam and Mg Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Rat-Comt, Opicapone,Sam and Mg Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:58.0
occ:1.00
 CL1 D:DNI302 0.0 58.0 1.0
C07 D:DNI302 1.8 52.3 1.0
C02 D:DNI302 2.7 46.1 1.0
C06 D:DNI302 2.7 50.6 1.0
C09 D:DNI302 3.0 49.7 1.0
SD D:MET201 3.1 67.5 1.0
C01 D:DNI302 3.2 43.8 1.0
CG A:GLU37 3.7 41.1 1.0
O A:LYS36 3.8 40.4 1.0
C03 D:DNI302 4.0 41.9 1.0
N05 D:DNI302 4.0 50.6 1.0
CD A:GLU37 4.2 46.8 1.0
OE1 A:GLU37 4.2 47.7 1.0
CE D:MET201 4.2 72.7 1.0
C04 D:DNI302 4.4 44.5 1.0
CG D:MET201 4.7 51.9 1.0
CB A:GLU37 4.7 33.8 1.0
C A:LYS36 4.9 38.4 1.0
CA A:GLU37 4.9 34.4 1.0

Reference:

K.Takebe, H.Iijima, M.Suzuki, T.Kuwada-Kusunose, N.Uzawa. Rat-Comt, Opicapone,Sam and Mg Bond To Be Published.
Page generated: Wed Jul 26 15:09:28 2023

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