Chlorine in PDB 8b1n: Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine

Enzymatic activity of Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine

All present enzymatic activity of Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine:
2.1.1.228;

Protein crystallography data

The structure of Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine, PDB code: 8b1n was solved by A.Kluza, I.Lewandowska, R.Augustyniak, J.Sulkowska, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.92 / 2.00
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 96.78, 199.56, 56.7, 90, 90, 90
R / Rfree (%) 16.9 / 20.9

Other elements in 8b1n:

The structure of Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine (pdb code 8b1n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine, PDB code: 8b1n:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8b1n

Go back to Chlorine Binding Sites List in 8b1n
Chlorine binding site 1 out of 4 in the Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:41.4
occ:1.00
 O B:HOH850 3.0 47.2 1.0
O A:HOH911 3.0 47.6 1.0
O A:HOH932 3.0 48.2 1.0
N A:GLU12 3.3 30.9 0.4
N A:GLU12 3.3 30.8 0.6
CD A:PRO11 3.5 38.5 1.0
N A:PRO11 3.6 37.7 1.0
CB A:GLU12 3.6 35.8 0.4
CA A:PHE10 3.6 33.3 1.0
CG A:GLU12 3.7 42.5 0.4
CB A:GLU12 3.7 35.8 0.6
C A:PHE10 3.7 38.5 1.0
CG A:PRO11 3.9 36.3 1.0
CE1 B:TYR20 4.0 39.3 1.0
CA A:GLU12 4.0 31.4 0.4
CA A:GLU12 4.0 30.8 0.6
O A:ILE9 4.3 37.4 1.0
C A:PRO11 4.3 37.6 1.0
CB A:PHE10 4.4 32.5 1.0
O A:PHE10 4.4 37.4 1.0
CA A:PRO11 4.5 39.1 1.0
N A:MET13 4.5 31.8 1.0
CG A:GLU12 4.5 46.6 0.6
CD1 A:PHE10 4.5 38.9 1.0
CD1 B:TYR20 4.6 36.5 1.0
N A:PHE10 4.7 33.7 1.0
C A:GLU12 4.7 34.6 0.4
C A:GLU12 4.7 35.0 0.6
CB A:PRO11 4.9 35.6 1.0
CZ B:TYR20 4.9 32.8 1.0
C A:ILE9 4.9 38.6 1.0
OH B:TYR20 5.0 40.5 1.0
CG A:PHE10 5.0 40.2 1.0

Chlorine binding site 2 out of 4 in 8b1n

Go back to Chlorine Binding Sites List in 8b1n
Chlorine binding site 2 out of 4 in the Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:51.0
occ:1.00
 N A:LEU335 3.2 42.2 1.0
O A:HOH688 3.3 37.3 1.0
O A:HOH758 3.3 43.5 1.0
O A:HOH920 3.5 52.6 1.0
CA A:SER334 3.7 40.2 1.0
CB A:SER334 3.9 36.3 1.0
CB A:LEU335 4.0 43.8 1.0
C A:SER334 4.0 39.0 1.0
CA A:LEU335 4.2 41.7 1.0
O A:TYR256 4.2 43.8 1.0
CE A:MET254 4.3 34.2 1.0
O A:HOH752 4.3 30.7 1.0
CD2 A:TYR256 4.4 42.6 1.0
O A:ASP333 4.8 43.3 1.0
CE2 A:TYR256 4.9 40.0 1.0
CG1 A:VAL293 4.9 29.1 1.0

Chlorine binding site 3 out of 4 in 8b1n

Go back to Chlorine Binding Sites List in 8b1n
Chlorine binding site 3 out of 4 in the Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:77.5
occ:0.84
 N B:ILE366 2.9 43.9 1.0
CG1 B:ILE366 3.2 54.5 1.0
NH1 B:ARG423 3.3 28.0 1.0
O B:HOH866 3.4 56.8 1.0
CB B:ILE366 3.5 47.2 1.0
O B:HOH700 3.5 44.8 1.0
CA B:SER365 3.7 42.0 1.0
C B:SER365 3.8 46.2 1.0
CA B:ILE366 3.8 42.0 1.0
CB B:SER365 4.0 43.7 1.0
OE1 B:GLU367 4.0 76.4 1.0
CD B:ARG423 4.3 33.7 1.0
CZ B:ARG423 4.4 36.1 1.0
CD1 B:ILE366 4.4 55.5 1.0
NH1 A:ARG426 4.5 48.0 1.0
NE B:ARG423 4.8 32.0 1.0
CE1 B:TYR420 4.8 27.2 1.0
CG2 B:ILE366 4.9 48.5 1.0
O B:ILE364 4.9 35.5 1.0
O B:SER365 5.0 37.7 1.0
C B:ILE366 5.0 45.5 1.0
N B:SER365 5.0 35.0 1.0
N B:GLU367 5.0 52.1 1.0
CD B:GLU367 5.0 82.6 1.0

Chlorine binding site 4 out of 4 in 8b1n

Go back to Chlorine Binding Sites List in 8b1n
Chlorine binding site 4 out of 4 in the Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Trmd-TM1570 From Calditerrivibrio Nitroreducens in Complex with S-Adenosyl-L-Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:38.9
occ:1.00
 O A:HOH947 2.9 52.6 1.0
O B:HOH852 3.0 59.7 1.0
O B:HOH830 3.2 60.3 1.0
N B:GLU12 3.3 40.0 1.0
CD B:PRO11 3.5 32.1 1.0
N B:PRO11 3.6 37.4 1.0
CB B:GLU12 3.6 43.3 1.0
CA B:PHE10 3.7 30.5 1.0
C B:PHE10 3.7 33.2 1.0
CG B:PRO11 3.9 40.3 1.0
CE1 A:TYR20 3.9 33.3 1.0
CA B:GLU12 4.0 30.9 1.0
CG B:GLU12 4.3 56.1 1.0
C B:PRO11 4.3 37.6 1.0
O B:ILE9 4.3 33.9 1.0
O B:PHE10 4.3 35.9 1.0
CA B:PRO11 4.4 38.3 1.0
CB B:PHE10 4.4 37.8 1.0
N B:MET13 4.5 32.2 1.0
CD1 B:PHE10 4.6 32.9 1.0
CD1 A:TYR20 4.6 36.2 1.0
C B:GLU12 4.7 32.9 1.0
CB B:PRO11 4.8 39.2 1.0
N B:PHE10 4.8 33.5 1.0
CZ A:TYR20 4.9 37.3 1.0
OH A:TYR20 4.9 40.2 1.0
O A:HOH639 4.9 42.3 1.0
C B:ILE9 5.0 32.5 1.0

Reference:

J.Sulkowska, A.Kluza, I.Lewandowska, R.Augustyniak, J.Sulkowska. N/A N/A.
Page generated: Tue Jul 30 06:59:44 2024

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