Zinc in PDB 6ine: Crystal Structure of Human ASH1L-MRG15 Complex

All present enzymatic activity of Crystal Structure of Human ASH1L-MRG15 Complex:
2.1.1.43;

The structure of Crystal Structure of Human ASH1L-MRG15 Complex, PDB code: 6ine was solved by P.Hou, C.Huang, C.P.Liu, T.Yu, Y.Yin, B.Zhu, R.M.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.120, 73.120, 202.818, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.7

The binding sites of Zinc atom in the Crystal Structure of Human ASH1L-MRG15 Complex (pdb code 6ine). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Human ASH1L-MRG15 Complex, PDB code: 6ine:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of Human ASH1L-MRG15 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human ASH1L-MRG15 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2301 b:52.0 occ:1.00 SG A:CYS2270 2.3 45.2 1.0 SG A:CYS2268 2.4 51.6 1.0 SG A:CYS2275 2.5 58.6 1.0 SG A:CYS2220 2.6 50.2 1.0 CB A:CYS2270 3.2 45.9 1.0 CB A:CYS2275 3.5 60.1 1.0 CB A:CYS2220 3.6 49.6 1.0 CB A:CYS2268 3.6 53.6 1.0 N A:CYS2220 3.9 47.4 1.0 N A:CYS2270 4.0 47.6 1.0 CA A:CYS2270 4.1 47.9 1.0 CA A:CYS2275 4.2 61.5 1.0 N A:ARG2276 4.3 57.2 1.0 CA A:CYS2220 4.4 48.0 1.0 NE2 A:HIS2218 4.6 44.2 1.0 C A:CYS2275 4.6 61.0 1.0 C A:CYS2268 4.7 52.5 1.0 CD2 A:HIS2218 4.7 43.8 1.0 CA A:CYS2268 4.7 54.8 1.0 C A:CYS2270 4.8 52.3 1.0 N A:GLY2271 4.8 52.2 1.0 O A:CYS2268 4.8 52.0 1.0 N A:GLY2277 4.8 61.5 1.0 C A:SER2219 4.9 44.7 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of Human ASH1L-MRG15 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human ASH1L-MRG15 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2302 b:54.9 occ:1.00 SG A:CYS2122 2.3 63.0 1.0 SG A:CYS2104 2.4 49.9 1.0 SG A:CYS2128 2.4 55.9 1.0 SG A:CYS2117 2.5 53.7 1.0 CB A:CYS2117 3.1 51.0 1.0 CB A:CYS2128 3.2 59.4 1.0 CB A:CYS2104 3.5 54.4 1.0 CB A:CYS2122 3.6 63.2 1.0 ZN A:ZN2303 3.8 49.9 1.0 NE2 A:GLN2131 4.2 61.2 1.0 CB A:ASN2130 4.3 48.3 1.0 CA A:CYS2128 4.4 61.5 1.0 SG A:CYS2091 4.5 50.9 1.0 CA A:CYS2117 4.6 49.4 1.0 CB A:CYS2124 4.7 67.3 1.0 CA A:CYS2122 4.7 64.3 1.0 CA A:CYS2104 4.8 60.3 1.0 SG A:CYS2108 4.8 46.1 1.0 N A:ASN2130 4.9 51.2 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of Human ASH1L-MRG15 Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Human ASH1L-MRG15 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2303 b:49.9 occ:1.00 SG A:CYS2091 2.3 50.9 1.0 SG A:CYS2093 2.3 54.1 1.0 SG A:CYS2108 2.5 46.1 1.0 SG A:CYS2104 2.5 49.9 1.0 CB A:CYS2093 2.8 57.8 1.0 CB A:CYS2108 3.4 48.0 1.0 CB A:CYS2104 3.5 54.4 1.0 CB A:CYS2091 3.5 51.4 1.0 ZN A:ZN2302 3.8 54.9 1.0 SG A:CYS2117 4.0 53.7 1.0 CA A:CYS2108 4.0 52.1 1.0 O A:HOH2409 4.1 42.7 1.0 CA A:CYS2093 4.1 61.2 1.0 CA A:CYS2104 4.3 60.3 1.0 N A:CYS2093 4.3 60.5 1.0 N A:LEU2109 4.8 44.7 1.0 C A:CYS2108 4.9 48.4 1.0 CA A:CYS2091 4.9 53.1 1.0

P.Hou, C.Huang, C.P.Liu, N.Yang, T.Yu, Y.Yin, B.Zhu, R.M.Xu. Structural Insights Into Stimulation of ASH1L'S H3K36 Methyltransferase Activity Through MRG15 Binding. Structure V. 27 837 2019.
ISSN: ISSN 0969-2126
PubMed: 30827843
DOI: 10.1016/J.STR.2019.01.015