Copper in PDB 6qww: Hewl Lysozyme, Crystallized From CUCL2 Solution

All present enzymatic activity of Hewl Lysozyme, Crystallized From CUCL2 Solution:
3.2.1.17;

The structure of Hewl Lysozyme, Crystallized From CUCL2 Solution, PDB code: 6qww 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)	27.84 / 1.35
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.739, 78.739, 36.774, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19

The structure of Hewl Lysozyme, Crystallized From CUCL2 Solution also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Copper atom in the Hewl Lysozyme, Crystallized From CUCL2 Solution (pdb code 6qww). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Hewl Lysozyme, Crystallized From CUCL2 Solution, PDB code: 6qww:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Hewl Lysozyme, Crystallized From CUCL2 Solution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Hewl Lysozyme, Crystallized From CUCL2 Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:11.0 occ:0.50 O A:HOH425 1.9 19.4 1.0 OD2 A:ASP52 1.9 16.3 1.0 O A:HOH352 2.0 18.6 1.0 O A:HOH327 2.1 25.3 1.0 O A:HOH348 2.3 18.3 1.0 O A:HOH303 2.3 18.4 1.0 CG A:ASP52 3.0 12.0 1.0 OD1 A:ASP52 3.4 11.2 1.0 O A:HOH380 3.7 23.5 1.0 O A:HOH340 3.9 13.4 1.0 O A:HOH307 3.9 13.6 1.0 O A:GLN57 4.1 9.6 1.0 CB A:ASP52 4.2 9.1 1.0 OE1 A:GLU35 4.3 9.8 1.0 ND2 A:ASN46 4.4 16.1 1.0 O A:HOH424 4.5 21.6 1.0 CB A:GLN57 4.6 8.0 1.0

Copper binding site 2 out of 4 in the Hewl Lysozyme, Crystallized From CUCL2 Solution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Hewl Lysozyme, Crystallized From CUCL2 Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu208 b:35.1 occ:0.70 O A:SER60 2.1 15.9 1.0 O A:HOH389 2.2 10.3 0.5 O A:ARG73 2.4 23.6 1.0 O A:HOH358 2.5 15.1 1.0 OG A:SER72 2.5 23.6 1.0 O A:CYS64 2.7 12.0 1.0 CB A:SER72 3.1 23.6 1.0 O A:HOH341 3.1 18.6 0.5 C A:SER60 3.2 12.1 1.0 C A:ARG73 3.4 20.3 1.0 C A:CYS64 3.8 13.1 1.0 N A:ARG73 3.8 22.9 1.0 O A:ARG61 3.9 17.2 0.5 CA A:SER60 4.0 10.7 1.0 C A:SER72 4.0 28.4 1.0 C A:ARG61 4.1 16.2 0.5 CA A:SER72 4.2 22.5 1.0 CA A:ASN65 4.2 11.7 1.0 CA A:ARG73 4.2 21.9 1.0 CB A:SER60 4.2 9.9 1.0 N A:ARG61 4.2 14.7 0.5 N A:ARG61 4.3 14.2 0.5 N A:ASN74 4.4 16.7 1.0 CA A:ARG61 4.4 17.0 0.5 CB A:THR69 4.4 13.2 1.0 N A:ASN65 4.4 11.9 1.0 C A:ARG61 4.5 15.2 0.5 CA A:ARG61 4.6 15.6 0.5 O A:SER72 4.6 33.8 1.0 CL A:CL203 4.6 20.0 1.0 N A:CYS64 4.7 12.7 1.0 N A:TRP62 4.7 13.7 1.0 CA A:ASN74 4.8 15.8 1.0 O A:THR69 4.8 16.9 1.0 O A:ARG61 4.8 16.9 0.5 N A:ASP66 4.8 10.7 1.0 OD1 A:ASN65 4.8 16.4 1.0 CG2 A:THR69 4.8 14.8 1.0 CA A:CYS64 4.9 12.2 1.0 OG1 A:THR69 4.9 13.0 1.0 OG A:SER60 4.9 9.2 1.0

Copper binding site 3 out of 4 in the Hewl Lysozyme, Crystallized From CUCL2 Solution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Hewl Lysozyme, Crystallized From CUCL2 Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu209 b:10.3 occ:0.50 O A:LEU129 2.0 3.7 0.5 O A:HOH344 2.0 8.8 1.0 O A:HOH410 2.7 16.2 0.5 C A:LEU129 2.9 10.4 0.5 C A:LEU129 2.9 9.7 0.5 CL A:CL206 3.0 13.3 0.5 O A:LEU129 3.3 4.6 0.5 O A:ALA10 4.2 10.3 1.0 CA A:LEU129 4.2 10.7 1.0 CB A:LEU129 4.5 12.1 1.0 CB A:ALA10 4.6 8.9 1.0 CA A:ALA10 4.7 9.1 1.0 C A:ALA10 4.8 9.3 1.0 CB A:ARG14 5.0 13.3 1.0

Copper binding site 4 out of 4 in the Hewl Lysozyme, Crystallized From CUCL2 Solution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Hewl Lysozyme, Crystallized From CUCL2 Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu210 b:16.2 occ:1.00 OD2 A:ASP18 1.9 8.6 0.5 O A:HOH426 2.0 19.8 1.0 O A:HOH337 2.0 20.7 1.0 O A:HOH334 2.1 16.6 1.0 O A:HOH338 2.2 16.0 1.0 O A:HOH382 2.4 26.4 1.0 CG A:ASP18 2.8 9.1 0.5 OD1 A:ASP18 3.1 8.8 0.5 O A:HOH301 3.2 13.3 0.5 OD2 A:ASP18 3.8 25.6 0.5 O A:ASP18 4.0 15.1 1.0 O A:HOH310 4.1 28.5 1.0 CB A:ASP18 4.2 11.0 0.5 CB A:ASP18 4.2 15.1 0.5 CG A:ASP18 4.4 19.5 0.5 C A:ASP18 4.7 13.4 1.0 O A:HOH440 4.8 0.0 1.0 CG A:LYS13 4.9 10.2 1.0 CA A:ASP18 5.0 12.0 0.5 CA A:ASP18 5.0 11.8 0.5

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.