Chlorine in PDB 6q70: Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes

Enzymatic activity of Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes

All present enzymatic activity of Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes:
5.1.1.1;

Protein crystallography data

The structure of Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes, PDB code: 6q70 was solved by N.Bernardo-Garcia, F.Gago, J.A.Hermoso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.29 / 2.05
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 73.655, 73.655, 331.612, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 23.7

Other elements in 6q70:

The structure of Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes (pdb code 6q70). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes, PDB code: 6q70:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6q70

Go back to Chlorine Binding Sites List in 6q70
Chlorine binding site 1 out of 3 in the Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes


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 the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:46.7
occ:1.00
 O A:HOH561 3.0 40.2 1.0
NE A:ARG139 3.1 33.8 1.0
NH2 A:ARG139 3.2 35.7 1.0
O A:HOH515 3.4 39.2 1.0
ND2 A:ASN132 3.5 39.4 1.0
O A:HOH563 3.5 34.3 1.0
CZ A:ARG139 3.6 34.3 1.0
CB A:ARG139 3.9 41.1 1.0
O A:LEU140 4.0 39.3 1.0
N A:LEU140 4.1 34.9 1.0
CG A:ARG139 4.1 41.5 1.0
CD A:ARG139 4.2 40.5 1.0
CB A:HIS169 4.2 43.5 1.0
C2A A:PLP401 4.2 43.9 1.0
CG A:MET137 4.4 41.4 1.0
CB A:LEU140 4.4 35.6 1.0
CG A:ASN132 4.4 39.5 1.0
OD1 A:ASN132 4.5 39.1 1.0
CA A:LEU140 4.6 36.4 1.0
C A:LEU140 4.6 37.7 1.0
CG A:HIS169 4.7 50.9 1.0
CB A:MET137 4.8 38.8 1.0
CD2 A:HIS169 4.8 59.4 1.0
NH1 A:ARG139 4.9 36.2 1.0
CA A:ARG139 5.0 41.6 1.0

Chlorine binding site 2 out of 3 in 6q70

Go back to Chlorine Binding Sites List in 6q70
Chlorine binding site 2 out of 3 in the Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes


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 the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:38.9
occ:1.00
 N B:ARG372 3.1 31.4 1.0
N A:ARG372 3.3 28.4 1.0
CD A:ARG372 3.6 59.5 1.0
CB A:ARG372 3.7 40.2 1.0
CB B:ARG372 3.8 39.7 1.0
CG B:ARG372 3.8 51.1 1.0
NE B:ARG372 3.8 70.0 1.0
CA B:SER371 3.9 26.6 1.0
CD B:ARG372 4.0 61.2 1.0
OG B:SER371 4.0 26.6 1.0
C B:SER371 4.0 29.1 1.0
CA B:ARG372 4.0 35.5 1.0
OG A:SER371 4.1 25.4 1.0
CA A:SER371 4.1 28.0 1.0
CG A:ARG372 4.1 51.8 1.0
CA A:ARG372 4.2 33.2 1.0
C A:SER371 4.2 27.6 1.0
CB B:SER371 4.4 24.4 1.0
CB A:SER371 4.6 25.3 1.0
NE A:ARG372 4.7 72.0 1.0
CZ B:ARG372 5.0 69.5 1.0
NH1 A:ARG372 5.0 60.2 1.0

Chlorine binding site 3 out of 3 in 6q70

Go back to Chlorine Binding Sites List in 6q70
Chlorine binding site 3 out of 3 in the Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes


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 the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Hepes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:51.5
occ:1.00
 NE B:ARG139 3.1 36.5 1.0
O B:HOH522 3.2 38.4 1.0
O B:HOH576 3.2 39.8 1.0
O B:HOH597 3.3 34.2 1.0
ND2 B:ASN132 3.4 37.0 1.0
NH2 B:ARG139 3.4 36.0 1.0
CB B:ARG139 3.7 40.3 1.0
CZ B:ARG139 3.7 36.5 1.0
N B:LEU140 3.8 37.3 1.0
O B:LEU140 3.8 36.4 1.0
CG B:ARG139 4.2 39.8 1.0
CD B:ARG139 4.2 38.3 1.0
CB B:HIS169 4.2 42.6 1.0
CG B:MET137 4.4 40.9 1.0
CG B:ASN132 4.4 36.9 1.0
CB B:LEU140 4.4 37.9 1.0
C2A B:PLP401 4.4 49.7 1.0
C B:LEU140 4.4 37.3 1.0
CA B:LEU140 4.4 38.0 1.0
OD1 B:ASN132 4.5 38.5 1.0
CB B:MET137 4.7 41.5 1.0
CA B:ARG139 4.7 40.9 1.0
C B:ARG139 4.7 40.3 1.0
CG B:HIS169 4.8 52.1 1.0
CD2 B:HIS169 4.8 56.0 1.0
CG B:LEU140 4.9 38.2 1.0

Reference:

N.Bernardo-Garcia, P.A.Sanchez-Murcia, A.Espaillat, S.Martinez-Caballero, F.Cava, J.A.Hermoso, F.Gago. Cold-Induced Aldimine Bond Cleavage By Tris in Bacillus Subtilis Alanine Racemase. Org.Biomol.Chem. V. 17 4350 2019.
ISSN: ESSN 1477-0539
PubMed: 30977502
DOI: 10.1039/C9OB00223E
Page generated: Sat Dec 12 13:32:49 2020

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