Chlorine in PDB 5ju9: Structure of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN3.

All present enzymatic activity of Structure of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN3.:
3.2.1.78;

The structure of Structure of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN3., PDB code: 5ju9 was solved by Y.Jin, M.Petricevic, E.D.Goddard-Borger, S.J.Williams, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.91 / 1.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.680, 53.630, 82.140, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 15.3

The binding sites of Chlorine atom in the Structure of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN3. (pdb code 5ju9). 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 A Beta-1,4-Mannanase, SSGH134, in Complex with MAN3., PDB code: 5ju9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN3.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN3. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:25.5 occ:1.00 N A:ASN135 3.3 13.3 1.0 C A:SER133 3.5 11.8 1.0 CA A:SER133 3.6 13.4 1.0 N A:PRO134 3.7 11.3 1.0 CB A:ASN135 3.8 16.3 1.0 CA A:ASN135 3.8 14.7 1.0 CB A:SER133 3.9 14.9 1.0 C A:ASN135 3.9 15.1 1.0 O A:SER133 3.9 12.4 1.0 CD A:PRO134 4.1 13.2 1.0 N A:THR136 4.2 13.6 1.0 CG2 A:THR136 4.3 14.1 1.0 C A:PRO134 4.4 11.8 1.0 O A:ASN135 4.4 20.6 1.0 OG A:SER133 4.5 19.8 1.0 OD1 A:ASN135 4.6 25.5 1.0 CG A:ASN135 4.6 17.1 1.0 CA A:PRO134 4.6 11.1 1.0 CA A:THR136 4.9 12.2 1.0 CG A:PRO134 4.9 13.4 1.0

Chlorine binding site 2 out of 2 in the Structure of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN3.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Beta-1,4-Mannanase, SSGH134, in Complex with MAN3. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:14.5 occ:0.80 ND1 A:HIS124 2.8 9.4 1.0 O A:HOH339 2.9 9.4 1.0 N A:ASN72 3.2 6.9 1.0 CA A:GLN71 3.3 7.4 1.0 SD A:MET75 3.3 8.4 0.8 CB A:GLN71 3.6 7.7 1.0 CE1 A:HIS124 3.6 10.4 1.0 ND2 A:ASN72 3.6 8.8 1.0 C A:GLN71 3.7 7.0 1.0 CG A:HIS124 3.8 8.9 1.0 CB A:MET75 3.9 8.2 0.7 CA A:HIS124 3.9 8.0 1.0 CE A:MET75 3.9 7.7 0.7 CG A:GLN71 3.9 8.0 1.0 CB A:MET75 3.9 10.4 0.3 O A:HOH333 4.0 10.1 1.0 CB A:HIS124 4.0 8.5 1.0 CG A:ASN72 4.0 8.1 1.0 CG A:MET75 4.1 11.8 0.3 CG A:MET75 4.2 8.2 0.7 CA A:ASN72 4.3 7.2 1.0 NE1 A:TRP120 4.3 9.0 1.0 OD1 A:ASN72 4.4 9.7 1.0 O A:ASN72 4.5 8.2 1.0 N A:GLN71 4.5 7.2 1.0 CB A:ASN72 4.6 7.8 1.0 N A:HIS124 4.6 8.0 1.0 CE A:MET75 4.6 11.6 0.3 O A:LYS70 4.6 8.4 1.0 CE2 A:TRP120 4.8 9.0 1.0 OE1 A:GLN71 4.8 8.8 1.0 CZ2 A:TRP120 4.8 9.9 1.0 NE2 A:HIS124 4.8 11.0 1.0 C A:ASN72 4.9 7.2 1.0 SD A:MET75 4.9 13.8 0.2 CD A:GLN71 4.9 8.2 1.0 CD2 A:HIS124 4.9 10.8 1.0 O A:GLY123 4.9 8.6 1.0 O A:GLN71 5.0 8.4 1.0

Y.Jin, M.Petricevic, A.John, L.Raich, H.Jenkins, L.Portela De Souza, F.Cuskin, H.J.Gilbert, C.Rovira, E.D.Goddard-Borger, S.J.Williams, G.J.Davies. A Beta-Mannanase with A Lysozyme-Like Fold and A Novel Molecular Catalytic Mechanism. Acs Cent Sci V. 2 896 2016.
ISSN: ESSN 2374-7943
PubMed: 28058278
DOI: 10.1021/ACSCENTSCI.6B00232