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Chlorine in PDB 6g59: Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative

Enzymatic activity of Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative

All present enzymatic activity of Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative:
5.1.1.1;

Protein crystallography data

The structure of Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative, PDB code: 6g59 was solved by A.Hoegl, S.A.Sieber, S.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.50 / 2.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.924, 106.855, 131.023, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 21.5

Other elements in 6g59:

The structure of Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative (pdb code 6g59). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative, PDB code: 6g59:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6g59

Go back to Chlorine Binding Sites List in 6g59
Chlorine binding site 1 out of 2 in the Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:55.5
occ:1.00
 N A:ASN31 3.3 37.7 1.0
C A:HIS29 3.6 35.8 1.0
CA A:HIS29 3.6 34.9 1.0
N A:PRO30 3.7 35.4 1.0
NZ A:LYS32 3.7 35.6 1.0
CD A:PRO30 3.8 35.8 1.0
CG A:LYS32 3.9 33.2 1.0
CB A:ASN31 3.9 40.7 1.0
CA A:ASN31 3.9 38.2 1.0
O A:HIS29 4.1 37.5 1.0
CB A:HIS29 4.1 33.2 1.0
C A:ASN31 4.2 35.8 1.0
N A:LYS32 4.2 33.2 1.0
OD1 A:ASN31 4.3 48.9 1.0
C A:PRO30 4.4 36.4 1.0
CG A:PRO30 4.4 36.6 1.0
CG A:ASN31 4.5 44.9 1.0
ND1 A:HIS29 4.5 32.6 1.0
CD A:LYS32 4.5 33.8 1.0
CA A:PRO30 4.5 35.6 1.0
CE A:LYS32 4.6 33.7 1.0
CB A:LYS32 4.7 32.1 1.0
O A:LEU28 4.8 35.7 1.0
CG A:HIS29 4.8 33.0 1.0
O A:ASN31 4.8 35.4 1.0
N A:HIS29 4.9 36.3 1.0

Chlorine binding site 2 out of 2 in 6g59

Go back to Chlorine Binding Sites List in 6g59
Chlorine binding site 2 out of 2 in the Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Alanine Racemase From Staphylococcus Aureus in Complex with An Pyridoxal-6- Phosphate Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:53.4
occ:1.00
 N B:ASN31 3.3 32.6 1.0
C B:HIS29 3.6 31.2 1.0
CA B:HIS29 3.7 31.6 1.0
NZ B:LYS32 3.7 34.7 1.0
N B:PRO30 3.7 31.7 1.0
CB B:ASN31 3.8 35.0 1.0
CD B:PRO30 3.8 33.3 1.0
CG B:LYS32 3.9 30.4 1.0
CA B:ASN31 3.9 33.4 1.0
OD1 B:ASN31 4.1 43.1 1.0
C B:ASN31 4.1 31.7 1.0
O B:HIS29 4.2 29.8 1.0
CB B:HIS29 4.2 31.2 1.0
N B:LYS32 4.2 30.4 1.0
CG B:ASN31 4.3 39.8 1.0
C B:PRO30 4.4 32.8 1.0
CG B:PRO30 4.4 34.2 1.0
ND1 B:HIS29 4.5 32.6 1.0
CD B:LYS32 4.5 31.2 1.0
CE B:LYS32 4.5 32.6 1.0
CA B:PRO30 4.6 32.8 1.0
CB B:LYS32 4.7 29.1 1.0
O B:ASN31 4.8 32.0 1.0
CG B:HIS29 4.8 31.8 1.0
O B:LEU28 4.8 35.8 1.0
N B:HIS29 4.9 32.0 1.0

Reference:

A.Hoegl, M.B.Nodwell, V.C.Kirsch, N.C.Bach, M.Pfanzelt, M.Stahl, S.Schneider, S.A.Sieber. Mining the Cellular Inventory of Pyridoxal Phosphate-Dependent Enzymes with Functionalized Cofactor Mimics. Nat Chem V. 10 1234 2018.
ISSN: ESSN 1755-4349
PubMed: 30297752
DOI: 10.1038/S41557-018-0144-2
Page generated: Sat Jul 27 23:43:39 2024

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