Chlorine in PDB 9ory: X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose

All present enzymatic activity of X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose:
3.2.1.17;

The structure of X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose, PDB code: 9ory was solved by C.W.Flowers, N.W.Vlahakis, J.A.Rodriguez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.26 / 1.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.74, 76.74, 37.75, 90, 90, 90
R / Rfree (%)	18.9 / 21.5

The binding sites of Chlorine atom in the X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose (pdb code 9ory). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose, PDB code: 9ory:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.4 occ:1.00 OH A:TYR23 2.9 14.4 1.0 O A:HOH331 3.4 20.3 1.0 O A:HOH394 3.5 39.3 1.0 CZ A:TYR23 3.6 13.9 1.0 CE2 A:TYR23 3.6 11.8 1.0 CA A:GLY104 4.2 15.2 1.0 O A:ARG21 4.6 21.2 1.0 CE1 A:TYR23 4.8 10.8 1.0 N A:GLY104 4.8 14.5 1.0 CD2 A:TYR23 4.9 12.2 1.0

Chlorine binding site 2 out of 3 in the X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:23.8 occ:1.00 OG A:SER24 3.0 18.6 1.0 N A:GLY26 3.1 13.5 1.0 CB A:SER24 3.5 17.9 1.0 CA A:GLY26 3.5 12.7 1.0 CA A:GLN121 3.6 24.7 1.0 CB A:GLN121 4.0 26.4 1.0 N A:GLN121 4.0 21.7 1.0 CD1 A:ILE124 4.0 29.0 1.0 N A:LEU25 4.1 13.9 1.0 CG A:GLN121 4.2 31.7 1.0 C A:SER24 4.3 15.6 1.0 O A:VAL120 4.3 19.0 1.0 C A:LEU25 4.3 15.2 1.0 CG2 A:VAL120 4.3 21.1 1.0 C A:VAL120 4.3 18.9 1.0 CA A:SER24 4.5 15.2 1.0 CG1 A:ILE124 4.6 24.3 1.0 C A:GLY26 4.6 12.4 1.0 CA A:LEU25 4.6 15.0 1.0 N A:ASN27 4.7 13.6 1.0 O A:SER24 4.7 15.1 1.0 C A:GLN121 4.8 19.7 1.0 CB A:LEU25 4.9 16.0 1.0 O A:GLN121 5.0 20.3 1.0

Chlorine binding site 3 out of 3 in the X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Diffraction Structure of Lysozyme Soaked with N,N',N"- Triacetylchitotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:31.6 occ:0.50 OG1 A:THR43 2.8 17.1 1.0 CB A:THR43 3.4 14.5 1.0 O A:THR43 3.7 14.9 1.0 C A:THR43 3.7 15.4 1.0 N A:ASN44 4.0 14.2 1.0 CA A:THR43 4.2 14.8 1.0 CA A:ASN44 4.3 14.8 1.0 N A:ARG45 4.4 16.7 1.0 CG2 A:THR51 4.4 13.9 1.0 C A:ASN44 4.6 15.1 1.0 NH2 A:ARG68 4.6 16.5 1.0 CG2 A:THR43 4.6 15.1 1.0

N.W.Vlahakis, C.W.Flowers, M.Liu, M.Agdanowski, S.Johnson, J.A.Summers, L.M.C.Jacobs, C.Keyser, P.Russell, S.Rose, J.Orlans, N.Adhami, Y.Chen, M.R.Sawaya, S.Basu, D.De Sanctis, Y.Chen, S.Wakatsuki, H.M.Nelson, J.A.Loo, Y.Tang, J.A.Rodriguez. Combining Microed and Native Mass Spectrometry For Structural Discovery of Enzyme-Small Molecule Complexes To Be Published.