Chlorine in PDB 3rdk: Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2

All present enzymatic activity of Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2:
3.2.1.8;

The structure of Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2, PDB code: 3rdk was solved by E.Pozharski, F.J.St John, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	117.04 / 1.49
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	165.113, 165.113, 66.355, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 18.4

The structure of Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2 (pdb code 3rdk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2, PDB code: 3rdk:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl348 b:37.2 occ:1.00 OG A:SER184 2.9 28.8 1.0 O A:HOH500 3.0 36.1 1.0 N A:SER184 3.2 25.2 1.0 CD A:PRO183 3.3 24.1 0.5 N A:PRO183 3.4 24.4 1.0 C A:ASN182 3.5 25.2 1.0 CB A:SER184 3.6 26.4 1.0 CA A:ASN182 3.6 24.9 1.0 CD A:PRO183 3.7 25.8 0.5 CG A:PRO183 3.9 19.7 0.5 CA A:SER184 3.9 25.1 1.0 O A:ASN182 4.1 24.2 1.0 C A:PRO183 4.2 24.1 1.0 C3 A:GOL349 4.2 46.9 1.0 CA A:PRO183 4.3 24.4 0.5 CA A:PRO183 4.3 25.3 0.5 CB A:ASN182 4.4 23.4 1.0 O A:HOH677 4.6 52.0 1.0 C1 A:GOL349 4.7 38.1 1.0 CB A:PRO183 4.8 23.9 0.5 ND2 A:ASN182 4.8 23.8 1.0 CB A:PRO183 4.8 25.6 0.5 N A:ASN182 4.8 26.0 1.0 C A:SER184 4.8 24.6 1.0 CG A:PRO183 4.8 25.8 0.5 N A:TRP185 4.8 23.3 1.0 O A:GLU181 4.8 29.2 1.0 CD1 A:TRP185 5.0 24.4 1.0

Chlorine binding site 2 out of 3 in the Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl350 b:72.5 occ:1.00 NZ A:LYS70 3.7 31.4 1.0 CD A:LYS70 4.4 27.0 1.0 CE A:LYS70 4.4 25.4 1.0

Chlorine binding site 3 out of 3 in the Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Protein Crystal Structure of Xylanase A1 of Paenibacillus Sp. Jdr-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl351 b:68.0 occ:1.00 N A:THR29 3.2 24.3 1.0 OG1 A:THR29 3.7 35.4 1.0 CA A:GLY28 3.9 27.7 1.0 CB A:THR29 3.9 27.7 1.0 C A:GLY28 4.0 24.6 1.0 CA A:THR29 4.2 24.8 1.0 N A:ARG30 4.8 20.9 1.0

F.J.St John, J.F.Preston, E.Pozharski. Novel Structural Features of Xylanase A1 From Paenibacillus Sp. Jdr-2. J.Struct.Biol. V. 180 303 2012.
ISSN: ISSN 1047-8477
PubMed: 23000703
DOI: 10.1016/J.JSB.2012.09.007