Chlorine in PDB 6qwx: Hewl Lysozyme, Crystallized From NICL2 Solution

All present enzymatic activity of Hewl Lysozyme, Crystallized From NICL2 Solution:
3.2.1.17;

The structure of Hewl Lysozyme, Crystallized From NICL2 Solution, PDB code: 6qwx was solved by A.S.Boikova, P.V.Dorovatovskii, Y.A.Dyakova, K.B.Ilina, I.P.Kuranova, V.A.Lazarenko, M.A.Marchenkova, Y.V.Pisarevsky, V.I.Timofeev, M.V.Kovalchuk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.28 / 1.35
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.147, 77.147, 37.139, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 19.3

The structure of Hewl Lysozyme, Crystallized From NICL2 Solution also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Chlorine atom in the Hewl Lysozyme, Crystallized From NICL2 Solution (pdb code 6qwx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Hewl Lysozyme, Crystallized From NICL2 Solution, PDB code: 6qwx:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Hewl Lysozyme, Crystallized From NICL2 Solution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hewl Lysozyme, Crystallized From NICL2 Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:15.6 occ:1.00 OG A:SER24 3.1 11.6 1.0 N A:GLY26 3.1 7.8 1.0 CB A:SER24 3.5 10.8 1.0 CA A:GLY26 3.5 8.6 1.0 CA A:GLN121 3.6 12.0 1.0 N A:GLN121 3.9 11.6 1.0 CD1 A:ILE124 4.0 17.7 1.0 CB A:GLN121 4.0 15.4 1.0 N A:LEU25 4.2 9.6 1.0 C A:VAL120 4.2 10.3 1.0 CG2 A:VAL120 4.2 12.3 1.0 O A:VAL120 4.2 11.3 1.0 CG A:GLN121 4.3 21.0 1.0 C A:LEU25 4.3 8.8 1.0 C A:SER24 4.3 8.8 1.0 CG1 A:ILE124 4.5 14.7 1.0 C A:GLY26 4.5 8.0 1.0 CA A:SER24 4.6 9.9 1.0 N A:ASN27 4.6 7.8 1.0 CA A:LEU25 4.7 9.4 1.0 O A:SER24 4.8 9.2 1.0 C A:GLN121 4.9 10.7 1.0 CB A:VAL120 5.0 11.4 1.0

Chlorine binding site 2 out of 4 in the Hewl Lysozyme, Crystallized From NICL2 Solution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hewl Lysozyme, Crystallized From NICL2 Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:19.0 occ:1.00 O A:THR69 3.0 15.6 1.0 N A:THR69 3.1 11.0 1.0 O A:HOH364 3.2 10.5 1.0 O A:HOH421 3.2 24.6 1.0 O A:HOH362 3.4 30.0 1.0 N A:ARG68 3.4 10.7 1.0 C A:GLY67 3.5 13.8 1.0 C A:THR69 3.5 13.1 1.0 CA A:GLY67 3.6 12.6 1.0 OD1 A:ASN65 3.6 13.5 1.0 N A:GLY67 3.6 11.0 1.0 OG A:SER72 3.7 19.9 1.0 CA A:THR69 3.7 12.0 1.0 O A:HOH406 4.0 16.6 1.0 CB A:THR69 4.0 11.8 1.0 C A:ARG68 4.1 13.1 1.0 O A:GLY67 4.1 17.6 1.0 OD1 A:ASP66 4.2 9.3 1.0 CA A:ARG68 4.2 12.3 1.0 N A:PRO70 4.5 17.0 1.0 NI A:NI202 4.6 41.2 1.0 OG1 A:THR69 4.6 10.9 1.0 C A:ASP66 4.7 10.0 1.0 N A:ASP66 4.8 8.6 1.0 CG A:ASN65 4.8 13.8 1.0 O A:HOH341 4.9 17.2 0.5 CB A:SER72 4.9 20.5 1.0

Chlorine binding site 3 out of 4 in the Hewl Lysozyme, Crystallized From NICL2 Solution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hewl Lysozyme, Crystallized From NICL2 Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:28.8 occ:1.00 O A:HOH327 3.2 26.7 1.0 N A:ILE88 3.2 10.0 1.0 CA A:ASP87 3.7 14.0 1.0 CG1 A:ILE88 3.7 11.6 1.0 O A:SER86 3.8 17.4 1.0 CZ A:PHE3 3.8 10.9 1.0 C A:ASP87 3.9 11.8 1.0 NH2 A:ARG14 4.1 15.2 1.0 CG2 A:ILE88 4.1 11.5 1.0 CB A:ALA11 4.2 10.2 1.0 CB A:ILE88 4.2 10.6 1.0 CA A:ILE88 4.3 9.9 1.0 CE2 A:PHE3 4.4 11.8 1.0 CG A:ASP87 4.5 17.6 1.0 OD1 A:ASP87 4.5 17.2 1.0 NE2 A:HIS15 4.5 14.3 1.0 CB A:ASP87 4.6 15.6 1.0 C A:SER86 4.6 14.8 1.0 N A:ASP87 4.6 14.6 1.0 CD1 A:ILE88 4.6 11.7 1.0 O A:HOH346 4.7 25.6 1.0 CE1 A:PHE3 4.9 11.6 1.0 CD2 A:HIS15 5.0 13.5 1.0 OD2 A:ASP87 5.0 23.3 1.0

Chlorine binding site 4 out of 4 in the Hewl Lysozyme, Crystallized From NICL2 Solution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hewl Lysozyme, Crystallized From NICL2 Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:23.0 occ:1.00 CE2 A:PHE38 3.7 9.6 1.0 NZ A:LYS33 3.7 19.3 1.0 CZ3 A:TRP123 4.0 13.3 1.0 CD A:ARG5 4.1 13.1 1.0 CE A:LYS33 4.1 16.7 1.0 CD A:LYS33 4.2 13.2 1.0 CZ A:PHE38 4.3 8.8 1.0 CB A:ARG5 4.3 13.2 1.0 NE A:ARG5 4.6 12.4 1.0 CD2 A:PHE38 4.6 10.2 1.0 CG A:ARG5 4.6 13.9 1.0 CE3 A:TRP123 4.7 10.9 1.0 CH2 A:TRP123 4.9 13.0 1.0

A.S.Boikova, P.V.Dorovatovskii, Y.A.Dyakova, K.B.Ilina, I.P.Kuranova, V.A.Lazarenko, M.A.Marchenkova, Y.V.Pisarevsky, V.I.Timofeev, M.V.Kovalchuk. Hewl Lysozyme, Crystallized From Different Chlorides To Be Published.