Zinc in PDB 6x0p: ASH1L Set Domain Q2265A Mutant in Complex with As-5

All present enzymatic activity of ASH1L Set Domain Q2265A Mutant in Complex with As-5:
2.1.1.359;

The structure of ASH1L Set Domain Q2265A Mutant in Complex with As-5, PDB code: 6x0p was solved by D.S.Rogawski, H.Li, D.Borkin, T.Cierpicki, J.Grembecka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.86 / 1.69
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	54.131, 62.315, 72.969, 87.76, 85.55, 90.04
R / Rfree (%)	17.7 / 21.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Zinc atom in the ASH1L Set Domain Q2265A Mutant in Complex with As-5 (pdb code 6x0p). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 12 binding sites of Zinc where determined in the ASH1L Set Domain Q2265A Mutant in Complex with As-5, PDB code: 6x0p:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 12 in the ASH1L Set Domain Q2265A Mutant in Complex with As-5


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 Q2265A Mutant in Complex with As-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2302 b:15.8 occ:1.00 SG A:CYS2091 2.3 17.5 1.0 SG A:CYS2108 2.4 13.4 1.0 SG A:CYS2093 2.4 17.3 1.0 SG A:CYS2104 2.4 14.5 1.0 CB A:CYS2091 3.1 15.5 1.0 CB A:CYS2104 3.2 14.2 1.0 CB A:CYS2093 3.3 21.5 1.0 CB A:CYS2108 3.3 15.2 1.0 CA A:CYS2104 3.7 14.2 1.0 ZN A:ZN2303 3.9 13.9 1.0 CA A:CYS2108 4.0 16.7 1.0 O A:HOH2549 4.0 21.5 1.0 SG A:CYS2117 4.1 10.7 1.0 N A:CYS2093 4.3 18.9 1.0 CA A:CYS2093 4.4 20.2 1.0 N A:CYS2104 4.6 14.7 1.0 CA A:CYS2091 4.6 16.0 1.0 N A:LEU2109 4.6 15.4 1.0 C A:CYS2108 4.7 18.3 1.0 O A:HOH2544 4.7 17.2 1.0 ND2 A:ASN2110 4.8 12.7 1.0 C A:CYS2104 4.9 16.6 1.0 SG A:CYS2122 4.9 15.8 1.0 C A:CYS2091 5.0 23.9 1.0

Zinc binding site 2 out of 12 in the ASH1L Set Domain Q2265A Mutant in Complex with As-5


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 Q2265A Mutant in Complex with As-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2303 b:13.9 occ:1.00 SG A:CYS2128 2.3 14.6 1.0 SG A:CYS2117 2.3 10.7 1.0 SG A:CYS2122 2.3 15.8 1.0 SG A:CYS2104 2.3 14.5 1.0 CB A:CYS2117 3.1 11.8 1.0 CB A:CYS2128 3.2 16.7 1.0 CB A:CYS2104 3.2 14.2 1.0 CB A:CYS2122 3.4 17.9 1.0 ZN A:ZN2302 3.9 15.8 1.0 O A:HOH2544 4.2 17.2 1.0 CA A:CYS2128 4.3 20.7 1.0 CB A:ASN2130 4.5 12.1 1.0 CA A:CYS2122 4.6 15.8 1.0 SG A:CYS2091 4.6 17.5 1.0 CA A:CYS2117 4.6 9.2 1.0 NE2 A:GLN2131 4.6 20.2 1.0 CA A:CYS2104 4.7 14.2 1.0 CB A:CYS2124 4.8 23.2 1.0 SG A:CYS2108 4.8 13.4 1.0

Zinc binding site 3 out of 12 in the ASH1L Set Domain Q2265A Mutant in Complex with As-5


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 Q2265A Mutant in Complex with As-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2304 b:11.6 occ:1.00 SG A:CYS2275 2.3 10.7 1.0 SG A:CYS2270 2.3 11.1 1.0 SG A:CYS2268 2.3 10.3 1.0 SG A:CYS2220 2.4 11.8 1.0 CB A:CYS2275 3.2 14.3 1.0 CB A:CYS2270 3.3 10.6 1.0 CB A:CYS2268 3.4 10.4 1.0 CB A:CYS2220 3.4 13.0 1.0 CA A:CYS2275 3.7 15.2 1.0 N A:CYS2220 3.9 9.8 1.0 N A:ARG2276 4.0 12.2 1.0 N A:CYS2270 4.0 12.1 1.0 CA A:CYS2270 4.2 10.7 1.0 C A:CYS2275 4.3 14.2 1.0 CA A:CYS2220 4.3 10.5 1.0 O A:HOH2565 4.3 15.4 1.0 NE2 A:HIS2218 4.5 9.2 1.0 C A:CYS2268 4.5 12.7 1.0 CA A:CYS2268 4.6 12.2 1.0 CD2 A:HIS2218 4.6 9.0 1.0 O A:CYS2268 4.6 11.4 1.0 N A:GLY2277 4.8 13.1 1.0 N A:GLY2271 4.9 12.7 1.0 C A:CYS2270 4.9 12.6 1.0 N A:CYS2275 4.9 15.2 1.0 C A:SER2219 5.0 7.7 1.0 CB A:PHE2272 5.0 19.1 1.0

Zinc binding site 4 out of 12 in the ASH1L Set Domain Q2265A Mutant in Complex with As-5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of ASH1L Set Domain Q2265A Mutant in Complex with As-5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2302 b:18.6 occ:1.00 SG B:CYS2091 2.3 22.6 1.0 SG B:CYS2108 2.3 15.6 1.0 SG B:CYS2104 2.4 19.3 1.0 SG B:CYS2093 2.4 23.5 1.0 CB B:CYS2108 3.2 15.1 1.0 CB B:CYS2093 3.2 26.3 1.0 CB B:CYS2104 3.2 22.0 1.0 CB B:CYS2091 3.3 17.5 1.0 CA B:CYS2104 3.6 28.6 1.0 ZN B:ZN2303 3.9 19.9 1.0 CA B:CYS2108 3.9 19.7 1.0 SG B:CYS2117 4.1 13.6 1.0 N B:CYS2093 4.2 20.4 1.0 O B:HOH2523 4.2 24.1 1.0 CA B:CYS2093 4.3 25.5 1.0 N B:CYS2104 4.4 32.1 1.0 N B:LEU2109 4.6 15.3 1.0 C B:CYS2108 4.6 17.0 1.0 CA B:CYS2091 4.7 21.9 1.0 C B:CYS2104 4.7 29.4 1.0 N B:ASN2092 5.0 20.1 1.0

Zinc binding site 5 out of 12 in the ASH1L Set Domain Q2265A Mutant in Complex with As-5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of ASH1L Set Domain Q2265A Mutant in Complex with As-5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2303 b:19.9 occ:1.00 SG B:CYS2104 2.2 19.3 1.0 SG B:CYS2117 2.3 13.6 1.0 SG B:CYS2128 2.3 18.6 1.0 SG B:CYS2122 2.3 21.1 1.0 CB B:CYS2117 3.1 13.6 1.0 CB B:CYS2104 3.2 22.0 1.0 CB B:CYS2128 3.3 25.4 1.0 CB B:CYS2122 3.5 23.6 1.0 ZN B:ZN2302 3.9 18.6 1.0 CA B:CYS2128 4.2 23.1 1.0 O B:HOH2545 4.3 21.5 1.0 SG B:CYS2091 4.4 22.6 1.0 CB B:ASN2130 4.4 15.9 1.0 CA B:CYS2117 4.6 13.8 1.0 CA B:CYS2122 4.6 30.4 1.0 NE2 B:GLN2131 4.6 27.6 1.0 CA B:CYS2104 4.7 28.6 1.0 CB B:CYS2124 4.7 33.4 1.0 SG B:CYS2108 4.7 15.6 1.0 N B:ASN2130 4.9 17.1 1.0

Zinc binding site 6 out of 12 in the ASH1L Set Domain Q2265A Mutant in Complex with As-5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of ASH1L Set Domain Q2265A Mutant in Complex with As-5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2304 b:11.3 occ:1.00 SG B:CYS2270 2.3 11.2 1.0 SG B:CYS2268 2.3 9.8 1.0 SG B:CYS2275 2.4 12.0 1.0 SG B:CYS2220 2.4 12.8 1.0 CB B:CYS2275 3.3 13.2 1.0 CB B:CYS2268 3.3 10.8 1.0 CB B:CYS2270 3.4 10.3 1.0 CB B:CYS2220 3.5 11.1 1.0 CA B:CYS2275 3.7 14.2 1.0 N B:CYS2220 3.9 12.0 1.0 N B:ARG2276 4.0 11.7 1.0 N B:CYS2270 4.0 10.2 1.0 CA B:CYS2270 4.3 10.3 1.0 C B:CYS2275 4.3 15.2 1.0 CA B:CYS2220 4.4 10.4 1.0 O B:HOH2499 4.4 13.4 1.0 NE2 B:HIS2218 4.4 9.5 1.0 CA B:CYS2268 4.5 11.1 1.0 CD2 B:HIS2218 4.5 9.6 1.0 C B:CYS2268 4.5 12.8 1.0 N B:GLY2277 4.7 13.3 1.0 O B:CYS2268 4.7 14.8 1.0 N B:GLY2271 4.8 15.9 1.0 C B:CYS2270 4.9 12.6 1.0 N B:CYS2275 4.9 19.5 1.0 C B:SER2219 5.0 10.2 1.0 N B:LYS2269 5.0 13.0 1.0

Zinc binding site 7 out of 12 in the ASH1L Set Domain Q2265A Mutant in Complex with As-5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of ASH1L Set Domain Q2265A Mutant in Complex with As-5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn2302 b:14.1 occ:1.00 SG C:CYS2091 2.3 14.9 1.0 SG C:CYS2108 2.3 12.3 1.0 SG C:CYS2104 2.4 14.9 1.0 SG C:CYS2093 2.4 15.1 1.0 CB C:CYS2091 3.2 17.4 1.0 CB C:CYS2093 3.2 19.2 1.0 CB C:CYS2104 3.2 17.4 1.0 CB C:CYS2108 3.2 18.2 1.0 CA C:CYS2104 3.7 14.3 1.0 ZN C:ZN2303 3.8 12.9 1.0 CA C:CYS2108 3.9 17.3 1.0 O C:HOH2549 4.0 18.0 1.0 SG C:CYS2117 4.1 10.6 1.0 N C:CYS2093 4.3 16.9 1.0 CA C:CYS2093 4.4 21.3 1.0 N C:LEU2109 4.5 19.4 1.0 N C:CYS2104 4.5 18.2 1.0 C C:CYS2108 4.6 15.4 1.0 CA C:CYS2091 4.6 22.2 1.0 O C:HOH2563 4.8 15.2 1.0 SG C:CYS2122 4.8 13.5 1.0 C C:CYS2104 4.8 16.8 1.0

Zinc binding site 8 out of 12 in the ASH1L Set Domain Q2265A Mutant in Complex with As-5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of ASH1L Set Domain Q2265A Mutant in Complex with As-5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn2303 b:12.9 occ:1.00 SG C:CYS2122 2.3 13.5 1.0 SG C:CYS2117 2.3 10.6 1.0 SG C:CYS2128 2.3 14.5 1.0 SG C:CYS2104 2.3 14.9 1.0 CB C:CYS2117 3.1 11.3 1.0 CB C:CYS2104 3.3 17.4 1.0 CB C:CYS2128 3.4 16.5 1.0 CB C:CYS2122 3.5 13.2 1.0 ZN C:ZN2302 3.8 14.1 1.0 O C:HOH2563 4.2 15.2 1.0 SG C:CYS2091 4.3 14.9 1.0 CA C:CYS2128 4.4 15.8 1.0 CB C:ASN2130 4.4 11.7 1.0 CA C:CYS2117 4.6 8.9 1.0 NE2 C:GLN2131 4.6 14.0 1.0 CA C:CYS2122 4.7 16.1 1.0 CB C:CYS2124 4.7 17.5 1.0 CA C:CYS2104 4.7 14.3 1.0 SG C:CYS2108 4.7 12.3 1.0

Zinc binding site 9 out of 12 in the ASH1L Set Domain Q2265A Mutant in Complex with As-5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of ASH1L Set Domain Q2265A Mutant in Complex with As-5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn2304 b:11.3 occ:1.00 SG C:CYS2275 2.3 12.0 1.0 SG C:CYS2268 2.3 9.3 1.0 SG C:CYS2270 2.4 10.5 1.0 SG C:CYS2220 2.4 10.4 1.0 CB C:CYS2275 3.3 15.7 1.0 CB C:CYS2270 3.3 10.9 1.0 CB C:CYS2268 3.3 10.4 1.0 CB C:CYS2220 3.5 11.0 1.0 CA C:CYS2275 3.7 14.3 1.0 N C:CYS2220 3.9 8.8 1.0 N C:CYS2270 4.0 11.3 1.0 N C:ARG2276 4.1 12.8 1.0 CA C:CYS2270 4.2 13.1 1.0 C C:CYS2275 4.3 15.2 1.0 CA C:CYS2220 4.4 9.0 1.0 O C:HOH2571 4.4 14.5 1.0 NE2 C:HIS2218 4.5 10.9 1.0 C C:CYS2268 4.6 8.2 1.0 CA C:CYS2268 4.6 8.1 1.0 O C:CYS2268 4.6 10.3 1.0 CD2 C:HIS2218 4.6 11.1 1.0 N C:GLY2277 4.8 13.1 1.0 C C:CYS2270 4.9 11.2 1.0 N C:GLY2271 4.9 11.8 1.0 N C:CYS2275 4.9 15.4 1.0 CB C:PHE2272 5.0 13.5 1.0 C C:SER2219 5.0 8.4 1.0

Zinc binding site 10 out of 12 in the ASH1L Set Domain Q2265A Mutant in Complex with As-5


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of ASH1L Set Domain Q2265A Mutant in Complex with As-5 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn2302 b:13.7 occ:1.00 SG D:CYS2091 2.3 15.6 1.0 SG D:CYS2104 2.3 12.4 1.0 SG D:CYS2108 2.4 11.8 1.0 SG D:CYS2093 2.5 13.4 1.0 CB D:CYS2104 3.2 12.8 1.0 CB D:CYS2093 3.2 21.3 1.0 CB D:CYS2108 3.2 12.0 1.0 CB D:CYS2091 3.3 13.8 1.0 CA D:CYS2104 3.6 18.3 1.0 CA D:CYS2108 3.9 12.5 1.0 ZN D:ZN2303 3.9 13.5 1.0 O D:HOH2522 4.0 14.3 1.0 SG D:CYS2117 4.2 8.3 1.0 N D:CYS2093 4.4 16.8 1.0 CA D:CYS2093 4.4 19.1 1.0 N D:CYS2104 4.5 19.1 1.0 N D:LEU2109 4.6 10.2 1.0 C D:CYS2108 4.6 12.8 1.0 O D:HOH2571 4.6 13.0 1.0 C D:CYS2104 4.7 16.4 1.0 CA D:CYS2091 4.7 18.6 1.0

H.Li, J.Grembecka, T.Cierpicki. ASH1L Set Domain Q2265A Mutant in Complex with As-5 To Be Published.