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Chlorine in PDB 3rxz: Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis

Protein crystallography data

The structure of Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis, PDB code: 3rxz was solved by K.Michalska, C.Tesar, J.Bearden, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.13 / 2.01
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.212, 59.592, 130.387, 90.00, 95.35, 90.00
R / Rfree (%) 17.5 / 21.1

Other elements in 3rxz:

The structure of Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis (pdb code 3rxz). 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 Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis, PDB code: 3rxz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3rxz

Go back to Chlorine Binding Sites List in 3rxz
Chlorine binding site 1 out of 4 in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis


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 Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl298

b:27.4
occ:1.00
 N A:ALA32 3.3 25.5 1.0
N A:PHE241 3.4 24.5 1.0
CD A:PRO240 3.6 26.2 1.0
CA A:GLY56 3.6 27.6 1.0
CD1 A:PHE241 3.6 27.9 1.0
N A:ASP31 3.7 27.6 1.0
CB A:PRO240 3.8 27.3 1.0
CA A:VAL30 3.8 26.1 1.0
CA A:ALA32 3.8 28.5 1.0
N A:PRO240 3.8 25.1 1.0
C A:VAL30 3.9 30.1 1.0
CB A:PHE241 3.9 25.3 1.0
CG1 A:VAL30 4.0 29.9 1.0
CG A:PRO240 4.0 30.7 1.0
C A:PRO240 4.1 26.8 1.0
CA A:PRO240 4.1 25.1 1.0
C A:GLY56 4.2 31.4 1.0
O A:ASP29 4.2 26.0 1.0
CA A:PHE241 4.2 24.4 1.0
CD A:PRO57 4.2 31.1 1.0
CG A:PHE241 4.2 26.9 1.0
CB A:ALA32 4.2 29.2 1.0
C A:ASP31 4.4 27.9 1.0
N A:PRO57 4.4 31.1 1.0
CB A:VAL30 4.5 27.8 1.0
C A:HIS239 4.5 23.6 1.0
CA A:ASP31 4.6 25.0 1.0
O A:GLN53 4.7 30.6 1.0
O A:VAL30 4.7 29.3 1.0
N A:GLY56 4.7 29.1 1.0
CE1 A:PHE241 4.7 28.6 1.0
CG A:PRO57 4.8 36.0 1.0
N A:VAL30 4.8 27.5 1.0
CB A:HIS239 4.9 24.0 1.0
C A:ASP29 4.9 29.6 1.0
O A:GLY56 4.9 29.6 1.0
CA A:HIS239 4.9 22.7 1.0

Chlorine binding site 2 out of 4 in 3rxz

Go back to Chlorine Binding Sites List in 3rxz
Chlorine binding site 2 out of 4 in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis


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 Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl298

b:29.3
occ:1.00
 N B:ALA32 3.2 31.2 1.0
N B:PHE241 3.4 30.1 1.0
CD1 B:PHE241 3.5 31.8 1.0
CD B:PRO240 3.5 27.5 1.0
N B:ASP31 3.7 30.1 1.0
CA B:ALA32 3.7 31.2 1.0
CA B:GLY56 3.7 29.8 1.0
CA B:VAL30 3.8 28.9 1.0
CB B:PRO240 3.8 30.9 1.0
C B:VAL30 3.8 32.9 1.0
N B:PRO240 3.9 27.6 1.0
CG1 B:VAL30 3.9 30.5 1.0
CB B:PHE241 4.0 30.8 1.0
CG B:PRO240 4.0 32.5 1.0
C B:PRO240 4.1 32.9 1.0
CD B:PRO57 4.1 31.5 1.0
CA B:PRO240 4.2 28.7 1.0
CB B:ALA32 4.2 31.7 1.0
O B:ASP29 4.2 32.6 1.0
CG B:PHE241 4.2 31.2 1.0
CA B:PHE241 4.2 29.4 1.0
C B:ASP31 4.2 33.7 1.0
C B:GLY56 4.3 32.7 1.0
N B:PRO57 4.4 30.3 1.0
CA B:ASP31 4.5 29.1 1.0
CE1 B:PHE241 4.5 29.9 1.0
CB B:VAL30 4.5 30.9 1.0
O B:VAL30 4.5 33.2 1.0
C B:HIS239 4.6 29.9 1.0
CG B:PRO57 4.7 36.8 1.0
O B:GLN53 4.7 32.0 1.0
N B:GLY56 4.8 29.9 1.0
N B:VAL30 4.8 29.3 1.0
CB B:ASP31 4.9 29.6 1.0
C B:ASP29 4.9 33.5 1.0
CB B:HIS239 5.0 31.5 1.0

Chlorine binding site 3 out of 4 in 3rxz

Go back to Chlorine Binding Sites List in 3rxz
Chlorine binding site 3 out of 4 in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis


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 Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl298

b:28.5
occ:1.00
 N C:ALA32 3.3 28.0 1.0
N C:PHE241 3.3 28.1 1.0
CD C:PRO240 3.5 27.9 1.0
CA C:GLY56 3.6 25.3 1.0
CD2 C:PHE241 3.6 27.6 1.0
CB C:PRO240 3.7 28.3 1.0
CA C:ALA32 3.7 27.6 1.0
N C:PRO240 3.8 27.4 1.0
N C:ASP31 3.8 27.0 1.0
CB C:PHE241 3.8 28.3 1.0
CA C:VAL30 3.9 27.9 1.0
C C:VAL30 3.9 32.6 1.0
CG1 C:VAL30 4.0 32.1 1.0
CD C:PRO57 4.0 32.5 1.0
C C:PRO240 4.1 31.1 1.0
CG C:PRO240 4.1 32.9 1.0
CA C:PHE241 4.1 27.8 1.0
CA C:PRO240 4.1 26.8 1.0
C C:GLY56 4.1 30.7 1.0
CB C:ALA32 4.2 28.1 1.0
CG C:PHE241 4.2 28.3 1.0
O C:ASP29 4.3 28.5 1.0
N C:PRO57 4.3 31.9 1.0
C C:ASP31 4.4 30.0 1.0
C C:HIS239 4.6 31.8 1.0
N C:GLY56 4.6 23.5 1.0
CA C:ASP31 4.6 25.6 1.0
CB C:VAL30 4.6 31.7 1.0
O C:VAL30 4.7 31.2 1.0
CG C:PRO57 4.7 36.8 1.0
CE2 C:PHE241 4.7 29.0 1.0
O C:GLN53 4.7 29.8 1.0
N C:VAL30 5.0 28.3 1.0
CB C:ASP31 5.0 26.1 1.0

Chlorine binding site 4 out of 4 in 3rxz

Go back to Chlorine Binding Sites List in 3rxz
Chlorine binding site 4 out of 4 in the Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis


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 Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl298

b:27.5
occ:1.00
 N D:ALA32 3.3 28.2 1.0
N D:PHE241 3.3 26.7 1.0
CA D:GLY56 3.6 23.0 1.0
CD2 D:PHE241 3.7 28.1 1.0
N D:ASP31 3.7 26.0 1.0
CB D:PHE241 3.7 26.3 1.0
CA D:ALA32 3.8 27.0 1.0
CB D:PRO240 3.8 26.9 1.0
CD D:PRO240 3.8 28.1 1.0
CA D:VAL30 3.8 27.0 1.0
C D:VAL30 3.9 29.6 1.0
N D:PRO240 3.9 26.0 1.0
CG1 D:VAL30 4.0 27.8 1.0
CA D:PHE241 4.1 25.2 1.0
O D:ASP29 4.1 26.9 1.0
C D:PRO240 4.2 28.8 1.0
C D:GLY56 4.2 29.1 1.0
CG D:PHE241 4.2 27.6 1.0
CA D:PRO240 4.2 24.7 1.0
CD D:PRO57 4.2 27.4 1.0
CG D:PRO240 4.2 30.9 1.0
C D:ASP31 4.3 31.6 1.0
CB D:ALA32 4.3 25.7 1.0
N D:PRO57 4.4 25.7 1.0
C D:HIS239 4.5 28.1 1.0
CA D:ASP31 4.5 26.0 1.0
O D:VAL30 4.6 29.6 1.0
CB D:VAL30 4.6 30.7 1.0
N D:GLY56 4.6 23.9 1.0
O D:GLN53 4.7 28.3 1.0
CE2 D:PHE241 4.8 29.3 1.0
CG D:PRO57 4.9 32.9 1.0
N D:VAL30 4.9 27.8 1.0
CB D:ASP31 4.9 26.0 1.0
O D:GLY56 4.9 29.8 1.0
C D:ASP29 4.9 31.0 1.0

Reference:

K.Michalska, C.Tesar, J.Bearden, A.Joachimiak. Crystal Structure of Putative Polysaccharide Deacetylase From Mycobacterium Smegmatis To Be Published.
Page generated: Sun Jul 21 04:01:44 2024

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