Chlorine in PDB 3az4: Crystal Structure of Co/O-Hewl

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

The structure of Crystal Structure of Co/O-Hewl, PDB code: 3az4 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)	21.33 / 1.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	30.154, 55.473, 71.928, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 24.6

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

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Co/O-Hewl (pdb code 3az4). 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/O-Hewl, PDB code: 3az4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Co/O-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/O-Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl131 b:24.2 occ:1.00 N A:SER81 3.2 18.8 1.0 O A:ASN65 3.5 22.8 1.0 CA A:ASP66 3.7 23.0 1.0 CB A:SER81 3.7 19.7 1.0 N A:CYS80 3.7 19.2 1.0 CA A:SER81 4.0 19.3 1.0 CB A:ASP66 4.0 22.6 1.0 OG A:SER81 4.1 23.0 1.0 C A:CYS80 4.1 18.1 1.0 CB A:CYS80 4.1 18.9 1.0 CA A:CYS80 4.1 19.0 1.0 CB A:PRO79 4.2 22.4 1.0 C A:PRO79 4.3 20.3 1.0 C A:ASP66 4.4 23.9 1.0 O A:ASP66 4.4 24.1 1.0 C A:ASN65 4.4 22.8 1.0 N A:ASP66 4.5 22.9 1.0 CA A:PRO79 4.6 21.4 1.0 O A:HOH194 5.0 39.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Co/O-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/O-Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl132 b:31.0 occ:1.00 O A:HOH145 3.2 24.1 1.0 OD1 A:ASN93 3.2 24.0 1.0 CA A:ALA90 3.8 16.5 1.0 CB A:ASN93 3.8 16.8 1.0 CG A:ASN93 3.9 20.1 1.0 CB A:ALA90 4.2 17.8 1.0 N A:ALA90 4.5 17.7 1.0 O A:THR89 4.5 17.4 1.0 O A:ALA90 4.7 17.4 1.0 C A:THR89 4.7 17.5 1.0 CG2 A:THR89 4.8 23.2 1.0 C A:ALA90 4.8 16.9 1.0 O A:HOH148 4.8 28.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Co/O-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/O-Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl133 b:29.0 occ:1.00 OG A:SER24 3.0 23.9 1.0 N A:GLY26 3.1 18.2 1.0 CB A:SER24 3.3 21.4 1.0 O A:HOH201 3.4 48.0 1.0 CA A:GLN121 3.5 24.4 1.0 CA A:GLY26 3.5 18.1 1.0 CD1 A:ILE124 3.8 27.3 1.0 CB A:GLN121 3.8 25.2 1.0 CG A:GLN121 3.9 30.3 1.0 N A:LEU25 3.9 19.3 1.0 N A:GLN121 4.0 24.1 1.0 C A:SER24 4.1 20.3 1.0 C A:LEU25 4.2 18.0 1.0 CG1 A:ILE124 4.2 26.5 1.0 O A:VAL120 4.3 22.8 1.0 CA A:SER24 4.3 21.1 1.0 C A:VAL120 4.4 23.4 1.0 CG2 A:VAL120 4.5 24.6 1.0 CA A:LEU25 4.5 18.4 1.0 O A:SER24 4.6 20.6 1.0 C A:GLY26 4.7 17.4 1.0 C A:GLN121 4.7 23.5 1.0 N A:ASN27 4.8 17.3 1.0 CB A:LEU25 4.8 19.1 1.0 O A:GLN121 4.8 23.6 1.0 CD A:GLN121 4.8 35.7 1.0 OE1 A:GLN121 4.9 39.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Co/O-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/O-Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl134 b:34.8 occ:1.00 O A:HOH163 3.1 39.2 1.0 N A:ILE88 3.1 18.5 1.0 CA A:ASP87 3.6 20.8 1.0 CG1 A:ILE88 3.7 20.8 1.0 CE1 A:HIS15 3.8 34.0 1.0 C A:ASP87 3.9 19.9 1.0 CG A:ASP87 4.0 22.7 1.0 NH1 A:ARG14 4.1 27.1 0.5 OD1 A:ASP87 4.2 22.8 1.0 CA A:ILE88 4.2 18.8 1.0 CB A:ILE88 4.2 18.2 1.0 CG2 A:ILE88 4.2 19.1 1.0 O A:SER86 4.2 24.0 1.0 OD2 A:ASP87 4.2 23.6 1.0 CZ A:PHE3 4.3 27.4 1.0 CB A:ASP87 4.3 20.8 1.0 CB A:ALA11 4.5 22.8 1.0 O A:HOH199 4.5 42.3 1.0 CD1 A:ILE88 4.5 19.8 1.0 ND1 A:HIS15 4.6 34.2 1.0 NE2 A:HIS15 4.6 35.1 1.0 N A:ASP87 4.7 21.9 1.0 N A:THR89 4.8 18.1 1.0 C A:SER86 4.9 23.0 1.0 O A:HOH185 4.9 44.8 1.0 C A:ILE88 5.0 17.9 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