Chlorine in PDB 3az6: Crystal Structure of Co/T-Hewl

All present enzymatic activity of Crystal Structure of Co/T-Hewl:
3.2.1.17;

The structure of Crystal Structure of Co/T-Hewl, PDB code: 3az6 was solved by S.Abe, M.Tsujimoto, K.Yoneda, M.Ohba, T.Hikage, M.Takano, S.Kitagawa, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.76 / 1.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.702, 78.702, 36.730, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.2

The structure of Crystal Structure of Co/T-Hewl also contains other interesting chemical elements:

Cobalt	(Co)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Co/T-Hewl (pdb code 3az6). 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 Co/T-Hewl, PDB code: 3az6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Co/T-Hewl


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 Co/T-Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl132 b:24.1 occ:1.00 OH A:TYR23 3.0 16.2 1.0 O A:HOH149 3.3 21.5 1.0 CZ A:TYR23 3.7 13.4 1.0 CE2 A:TYR23 3.7 13.9 1.0 CA A:GLY104 4.2 17.6 1.0 O A:ARG21 4.5 22.3 1.0 N A:GLY104 4.8 19.3 1.0 CE1 A:TYR23 4.9 13.4 1.0 NH1 A:ARG21 4.9 27.5 0.5 CD2 A:TYR23 4.9 14.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Co/T-Hewl


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 Co/T-Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl133 b:25.1 occ:1.00 O A:HOH237 3.0 28.8 1.0 N A:THR69 3.1 20.0 1.0 O A:HOH144 3.2 18.5 1.0 O A:THR69 3.2 21.3 1.0 O A:HOH221 3.3 34.6 1.0 N A:ARG68 3.5 19.5 1.0 O A:HOH200 3.5 33.9 1.0 C A:GLY67 3.6 19.5 1.0 CA A:GLY67 3.6 18.7 1.0 C A:THR69 3.6 20.7 1.0 OG A:SER72 3.6 26.2 1.0 N A:GLY67 3.7 17.7 1.0 ND2 A:ASN65 3.7 17.4 1.0 CA A:THR69 3.8 20.3 1.0 O A:HOH155 4.0 24.0 1.0 C A:ARG68 4.2 20.4 1.0 CB A:THR69 4.2 20.3 1.0 O A:GLY67 4.2 20.8 1.0 OD1 A:ASP66 4.2 15.3 1.0 CA A:ARG68 4.3 19.8 1.0 N A:PRO70 4.6 22.1 1.0 NA A:NA131 4.7 21.5 1.0 C A:ASP66 4.8 16.3 1.0 OG1 A:THR69 4.8 18.9 1.0 O A:HOH162 4.8 21.8 0.5 N A:ASP66 4.9 15.2 1.0 CB A:SER72 4.9 25.3 1.0 CG A:ASN65 5.0 17.6 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Co/T-Hewl


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 Co/T-Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl134 b:28.0 occ:1.00 OG A:SER24 3.0 21.8 1.0 N A:GLY26 3.1 17.7 1.0 CB A:SER24 3.4 19.5 1.0 CA A:GLY26 3.5 16.7 1.0 CA A:GLN121 3.7 23.4 1.0 N A:GLN121 4.0 22.8 1.0 N A:LEU25 4.1 19.1 1.0 CB A:GLN121 4.1 24.5 1.0 CG A:GLN121 4.2 27.9 1.0 C A:SER24 4.2 19.1 1.0 C A:VAL120 4.3 22.2 1.0 CD1 A:ILE124 4.3 27.5 1.0 C A:LEU25 4.3 18.2 1.0 O A:VAL120 4.3 21.2 1.0 CG2 A:VAL120 4.3 21.8 1.0 CG1 A:ILE124 4.4 25.4 1.0 CA A:SER24 4.5 19.3 1.0 C A:GLY26 4.6 15.8 1.0 CA A:LEU25 4.6 18.5 1.0 O A:SER24 4.6 19.7 1.0 N A:ASN27 4.7 15.7 1.0 C A:GLN121 4.9 22.4 1.0 CB A:LEU25 4.9 19.4 1.0 CB A:VAL120 5.0 21.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Co/T-Hewl


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 Co/T-Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl135 b:39.4 occ:1.00 NZ A:LYS33 3.6 26.2 1.0 CE2 A:PHE38 3.7 18.6 1.0 CE A:LYS33 4.0 25.1 1.0 CZ3 A:TRP123 4.0 21.9 1.0 CD A:ARG5 4.2 25.7 1.0 CB A:ARG5 4.3 22.9 1.0 CD A:LYS33 4.3 22.2 1.0 O3 A:GOL136 4.4 44.4 1.0 CZ A:PHE38 4.4 17.8 1.0 CG A:ARG5 4.7 23.5 1.0 CD2 A:PHE38 4.7 18.3 1.0 NE A:ARG5 4.7 27.9 1.0 CE3 A:TRP123 4.8 21.4 1.0 O A:HOH245 4.8 44.5 1.0 CH2 A:TRP123 4.9 22.3 1.0

S.Abe, M.Tsujimoto, K.Yoneda, M.Ohba, T.Hikage, M.Takano, S.Kitagawa, T.Ueno. Porous Protein Crystals As Reaction Vessels For Controlling Magnetic Properties of Nanoparticles Small V. 8 1314 2012.
ISSN: ISSN 1613-6810
PubMed: 22383363
DOI: 10.1002/SMLL.201101866