Zinc in PDB 6wzw: ASH1L Set Domain in Complex with As-85

All present enzymatic activity of ASH1L Set Domain in Complex with As-85:
2.1.1.359;

The structure of ASH1L Set Domain in Complex with As-85, PDB code: 6wzw was solved by H.Li, J.Deng, T.Cierpicki, J.Grembecka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.33 / 1.69
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.277, 31.998, 91.16, 90, 102.34, 90
R / Rfree (%)	16.4 / 20.6

The structure of ASH1L Set Domain in Complex with As-85 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Zinc atom in the ASH1L Set Domain in Complex with As-85 (pdb code 6wzw). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the ASH1L Set Domain in Complex with As-85, PDB code: 6wzw:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the ASH1L Set Domain in Complex with As-85


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of ASH1L Set Domain in Complex with As-85 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2303 b:13.5 occ:1.00 SG A:CYS2108 2.3 14.2 1.0 SG A:CYS2091 2.3 13.9 1.0 SG A:CYS2093 2.4 14.9 1.0 SG A:CYS2104 2.4 15.0 1.0 CB A:CYS2108 3.1 17.1 1.0 CB A:CYS2093 3.2 9.2 1.0 CB A:CYS2104 3.2 10.7 1.0 CB A:CYS2091 3.3 13.9 1.0 CA A:CYS2104 3.6 13.4 1.0 CA A:CYS2108 3.8 14.6 1.0 ZN A:ZN2304 3.9 13.9 1.0 SG A:CYS2117 4.2 14.0 1.0 O A:HOH2563 4.2 17.0 1.0 N A:CYS2093 4.3 14.0 1.0 CA A:CYS2093 4.3 12.7 1.0 N A:CYS2104 4.5 16.8 1.0 C A:CYS2108 4.6 15.9 1.0 CA A:CYS2091 4.7 15.7 1.0 N A:LEU2109 4.7 14.9 1.0 O A:HOH2591 4.7 15.7 1.0 C A:CYS2104 4.7 20.1 1.0 N A:ASN2092 5.0 18.6 1.0

Zinc binding site 2 out of 3 in the ASH1L Set Domain in Complex with As-85


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of ASH1L Set Domain in Complex with As-85 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2304 b:13.9 occ:1.00 SG A:CYS2122 2.2 13.2 1.0 SG A:CYS2128 2.3 12.7 1.0 SG A:CYS2104 2.3 15.0 1.0 SG A:CYS2117 2.4 14.0 1.0 CB A:CYS2117 3.1 15.7 1.0 CB A:CYS2104 3.3 10.7 1.0 CB A:CYS2128 3.3 11.6 1.0 CB A:CYS2122 3.4 11.5 1.0 ZN A:ZN2303 3.9 13.5 1.0 O A:HOH2591 4.1 15.7 1.0 CA A:CYS2128 4.3 12.9 1.0 NE2 A:GLN2131 4.5 15.5 1.0 SG A:CYS2091 4.5 13.9 1.0 CB A:ASN2130 4.6 12.8 1.0 CA A:CYS2122 4.6 12.3 1.0 CA A:CYS2117 4.6 14.7 1.0 CB A:CYS2124 4.7 13.3 1.0 SG A:CYS2108 4.7 14.2 1.0 CA A:CYS2104 4.7 13.4 1.0

Zinc binding site 3 out of 3 in the ASH1L Set Domain in Complex with As-85


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of ASH1L Set Domain in Complex with As-85 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2305 b:15.9 occ:1.00 SG A:CYS2268 2.3 15.1 1.0 SG A:CYS2275 2.3 14.1 1.0 SG A:CYS2270 2.4 15.9 1.0 SG A:CYS2220 2.4 16.9 1.0 CB A:CYS2275 3.2 15.7 1.0 CB A:CYS2268 3.3 17.1 1.0 CB A:CYS2270 3.3 15.0 1.0 CB A:CYS2220 3.4 10.4 1.0 CA A:CYS2275 3.6 15.3 1.0 N A:CYS2220 3.9 13.5 1.0 N A:CYS2270 4.0 15.2 1.0 N A:ARG2276 4.1 19.2 1.0 CA A:CYS2270 4.2 17.6 1.0 C A:CYS2275 4.3 22.7 1.0 CA A:CYS2220 4.3 10.9 1.0 O A:HOH2568 4.4 17.4 1.0 CA A:CYS2268 4.5 14.6 1.0 NE2 A:HIS2218 4.5 13.3 1.0 C A:CYS2268 4.5 17.5 1.0 CD2 A:HIS2218 4.6 12.2 1.0 O A:CYS2268 4.6 16.2 1.0 N A:GLY2277 4.7 18.2 1.0 N A:CYS2275 4.8 16.2 1.0 C A:SER2219 4.9 11.2 1.0 C A:CYS2270 5.0 16.8 1.0 N A:GLY2271 5.0 17.0 1.0 N A:LYS2269 5.0 12.6 1.0

H.Li, J.Grembecka, T.Cierpicki. ASH1L Set Domain in Complex with As-85 To Be Published.