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Chlorine in PDB 6dli: Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine

Enzymatic activity of Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine

All present enzymatic activity of Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine:
5.1.1.3;

Protein crystallography data

The structure of Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine, PDB code: 6dli was solved by G.T.Cooling, N.R.Vance, M.A.Spies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.05 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.888, 95.605, 179.284, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 24.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine (pdb code 6dli). 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 Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine, PDB code: 6dli:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6dli

Go back to Chlorine Binding Sites List in 6dli
Chlorine binding site 1 out of 4 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine


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 Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:79.6
occ:1.00
 CL A:C2N301 0.0 79.6 1.0
CB A:C2N301 1.8 61.4 1.0
CA A:C2N301 2.8 57.4 1.0
OG A:SER13 3.3 55.0 1.0
N A:C2N301 3.3 57.9 1.0
N A:TYR44 3.7 53.9 1.0
CB A:PRO43 4.2 48.5 1.0
CA A:PRO43 4.2 50.4 1.0
C A:C2N301 4.2 60.4 1.0
N A:GLY45 4.3 53.9 1.0
CB A:SER13 4.4 49.1 1.0
CB A:TYR44 4.5 47.3 1.0
C A:PRO43 4.5 52.1 1.0
CA A:TYR44 4.6 50.7 1.0
SG A:CYS75 4.6 47.0 1.0
O A:C2N301 4.7 64.0 1.0
CG2 A:THR116 4.8 52.9 1.0
OG1 A:THR77 4.8 48.6 1.0
CG2 A:VAL42 4.8 44.7 1.0
C A:TYR44 4.9 55.3 1.0

Chlorine binding site 2 out of 4 in 6dli

Go back to Chlorine Binding Sites List in 6dli
Chlorine binding site 2 out of 4 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine


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 Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:74.4
occ:1.00
 CL B:C2N301 0.0 74.4 1.0
CB B:C2N301 1.9 54.5 1.0
CA B:C2N301 2.7 53.6 1.0
N B:TYR44 3.2 50.8 1.0
OG B:SER13 3.2 50.2 1.0
N B:C2N301 3.4 53.5 1.0
CB B:PRO43 3.8 45.8 1.0
CA B:PRO43 3.8 51.6 1.0
N B:GLY45 3.9 49.6 1.0
CB B:TYR44 3.9 46.6 1.0
C B:PRO43 4.0 50.2 1.0
CA B:TYR44 4.0 49.0 1.0
CB B:SER13 4.1 46.5 1.0
C B:C2N301 4.2 53.3 1.0
C B:TYR44 4.4 51.0 1.0
OXT B:C2N301 4.5 54.6 1.0
CG B:TYR44 4.6 46.7 1.0
SG B:CYS75 4.6 52.4 1.0
OG1 B:THR77 4.6 47.0 1.0
CA B:GLY45 4.8 47.9 1.0
CG2 B:VAL42 4.8 37.8 1.0
CG2 B:THR116 4.9 47.8 1.0

Chlorine binding site 3 out of 4 in 6dli

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Chlorine binding site 3 out of 4 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine


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 Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:77.9
occ:1.00
 CL C:C2N301 0.0 77.9 1.0
CB C:C2N301 1.9 66.8 1.0
CA C:C2N301 2.8 63.2 1.0
N C:C2N301 3.5 58.3 1.0
N C:TYR44 3.5 53.3 1.0
OG C:SER13 3.5 52.8 1.0
CB C:PRO43 3.6 47.8 1.0
N C:GLY45 3.6 59.7 1.0
CA C:PRO43 3.9 52.6 1.0
C C:PRO43 4.1 54.2 1.0
C C:C2N301 4.2 58.8 1.0
CA C:TYR44 4.3 48.0 1.0
CA C:GLY45 4.4 56.6 1.0
C C:TYR44 4.5 56.4 1.0
CB C:TYR44 4.5 48.5 1.0
CB C:SER13 4.5 52.6 1.0
CG2 C:THR116 4.6 60.8 1.0
OXT C:C2N301 4.6 64.6 1.0
CG2 C:VAL42 4.8 45.1 1.0
OG1 C:THR77 4.8 56.9 1.0

Chlorine binding site 4 out of 4 in 6dli

Go back to Chlorine Binding Sites List in 6dli
Chlorine binding site 4 out of 4 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine


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 Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:79.3
occ:1.00
 CL D:C2N301 0.0 79.3 1.0
CB D:C2N301 1.8 68.1 1.0
CA D:C2N301 2.8 68.2 1.0
N D:C2N301 3.4 62.4 1.0
OG D:SER13 3.6 59.8 1.0
N D:TYR44 3.9 59.4 1.0
N D:GLY45 3.9 62.9 1.0
CB D:PRO43 4.0 50.6 1.0
C D:C2N301 4.2 69.2 1.0
CA D:PRO43 4.3 57.7 1.0
CG2 D:THR116 4.4 67.3 1.0
CA D:GLY45 4.5 66.6 1.0
C D:PRO43 4.6 58.6 1.0
OXT D:C2N301 4.7 71.8 1.0
CB D:SER13 4.7 58.8 1.0
CA D:TYR44 4.7 54.0 1.0
OG1 D:THR77 4.7 60.4 1.0
C D:TYR44 4.8 60.7 1.0
CB D:TYR44 4.8 53.8 1.0
CG2 D:VAL42 4.9 52.4 1.0
SG D:CYS75 4.9 51.7 1.0

Reference:

G.T.Cooling, N.R.Vance, M.A.Spies. Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with Beta-Chloro-D-Alanine To Be Published.
Page generated: Sat Jul 27 21:34:32 2024

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