Chlorine in PDB 3zjk: Crystal Structure of Ttb-Gly F401S Mutant

All present enzymatic activity of Crystal Structure of Ttb-Gly F401S Mutant:
3.2.1.21;

The structure of Crystal Structure of Ttb-Gly F401S Mutant, PDB code: 3zjk was solved by D.Teze, V.Tran, C.Tellier, M.Dion, C.Leroux, J.Roncza, M.Czjzek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.18 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	98.557, 77.322, 101.767, 90.00, 103.46, 90.00
R / Rfree (%)	17.285 / 22.289

The binding sites of Chlorine atom in the Crystal Structure of Ttb-Gly F401S Mutant (pdb code 3zjk). 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 Ttb-Gly F401S Mutant, PDB code: 3zjk:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Ttb-Gly F401S Mutant


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 Ttb-Gly F401S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1430 b:18.8 occ:1.00 O A:HOH2113 3.0 14.5 1.0 N A:ASN219 3.2 19.3 1.0 N A:TRP166 3.2 14.4 1.0 CB A:TRP166 3.3 16.0 1.0 CD A:PRO165 3.4 12.5 1.0 CA A:GLU164 3.5 15.4 1.0 N A:PRO165 3.5 14.8 1.0 C A:GLU164 3.7 16.0 1.0 CA A:LEU218 3.8 16.8 1.0 CD2 A:LEU218 3.8 12.1 1.0 CA A:TRP166 3.9 15.3 1.0 CB A:LEU218 3.9 16.0 1.0 C A:LEU218 4.0 19.4 1.0 CG A:PRO165 4.0 12.2 1.0 CB A:ASN219 4.1 22.0 1.0 CA A:ASN219 4.1 21.1 1.0 O A:ASN219 4.2 26.1 1.0 C A:PRO165 4.3 14.2 1.0 CB A:GLU164 4.3 15.4 1.0 CA A:PRO165 4.4 13.9 1.0 CD1 A:PHE242 4.4 14.6 1.0 O A:GLU164 4.5 17.7 1.0 CG A:LEU218 4.5 15.0 1.0 N A:GLU164 4.6 15.1 1.0 C A:ASN219 4.7 21.6 1.0 CG A:TRP166 4.7 18.1 1.0 CG A:PHE242 4.8 15.0 1.0 O A:VAL217 4.8 16.5 1.0 CB A:PRO165 4.9 12.8 1.0 N A:CYS167 5.0 15.5 1.0 CB A:PHE242 5.0 15.1 1.0 CG A:GLU164 5.0 16.0 1.0 C A:TRP166 5.0 16.2 1.0 O A:HOH2122 5.0 11.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Ttb-Gly F401S Mutant


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 Ttb-Gly F401S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1429 b:22.7 occ:1.00 O B:HOH2088 2.9 6.8 1.0 N B:TRP166 3.2 12.7 1.0 CB B:TRP166 3.3 15.1 1.0 N B:ASN219 3.3 15.4 1.0 CA B:GLU164 3.5 11.9 1.0 CD B:PRO165 3.5 12.6 1.0 N B:PRO165 3.6 12.7 1.0 C B:GLU164 3.7 12.7 1.0 CA B:LEU218 3.8 12.7 1.0 CA B:TRP166 3.8 13.0 1.0 CD2 B:LEU218 4.0 11.8 1.0 CG B:PRO165 4.0 12.9 1.0 CB B:LEU218 4.0 12.1 1.0 C B:LEU218 4.1 14.5 1.0 CB B:ASN219 4.1 20.2 1.0 O B:ASN219 4.1 21.3 1.0 CA B:ASN219 4.2 18.4 1.0 CB B:GLU164 4.3 13.2 1.0 C B:PRO165 4.3 12.2 1.0 CD2 B:PHE242 4.3 14.2 1.0 O B:GLU164 4.5 13.8 1.0 CA B:PRO165 4.5 12.5 1.0 N B:GLU164 4.5 11.2 1.0 CG B:TRP166 4.6 18.5 1.0 CG B:LEU218 4.6 12.8 1.0 C B:ASN219 4.7 18.6 1.0 CG B:PHE242 4.7 13.2 1.0 CB B:PHE242 4.8 15.4 1.0 O B:VAL217 4.8 13.3 1.0 CB B:PRO165 4.9 12.7 1.0 CE2 B:PHE242 5.0 12.3 1.0 C B:TRP166 5.0 12.9 1.0 CG B:GLU164 5.0 14.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Ttb-Gly F401S Mutant


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 Ttb-Gly F401S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1430 b:31.5 occ:1.00 O C:HOH2053 2.9 17.6 1.0 N C:TRP166 3.2 33.3 1.0 CD C:PRO165 3.3 28.2 1.0 N C:ASN219 3.3 34.8 1.0 N C:PRO165 3.4 30.5 1.0 CB C:TRP166 3.4 37.6 1.0 CA C:GLU164 3.5 31.0 1.0 C C:GLU164 3.5 29.9 1.0 CA C:LEU218 3.7 31.6 1.0 CG C:PRO165 3.8 29.3 1.0 CD2 C:LEU218 3.9 23.1 1.0 CA C:TRP166 3.9 35.8 1.0 CB C:LEU218 4.0 30.4 1.0 C C:LEU218 4.0 34.3 1.0 O C:ASN219 4.2 40.8 1.0 C C:PRO165 4.2 32.9 1.0 CB C:ASN219 4.3 39.4 1.0 CA C:PRO165 4.3 31.5 1.0 CA C:ASN219 4.3 38.5 1.0 O C:GLU164 4.3 28.8 1.0 CB C:GLU164 4.3 31.6 1.0 CD1 C:PHE242 4.5 34.1 1.0 N C:GLU164 4.5 28.5 1.0 CG C:LEU218 4.6 29.1 1.0 CB C:PRO165 4.6 31.2 1.0 CG C:PHE242 4.7 35.0 1.0 CG C:TRP166 4.7 41.1 1.0 C C:ASN219 4.7 41.5 1.0 CG C:GLU164 4.8 32.6 1.0 O C:VAL217 4.8 26.1 1.0 CB C:PHE242 4.9 35.7 1.0

D.Teze, J.Hendrickx, M.Czjzek, D.Ropartz, Y.Sanejouand, V.Tran, C.Tellier, M.Dion. Semi-Rational Approach For Converting A GH1 Beta-Glycosidase Into A Beta-Transglycosidase. Protein Eng.Des.Sel. V. 27 13 2014.
ISSN: ISSN 1741-0126
PubMed: 24287187
DOI: 10.1093/PROTEIN/GZT057