Zinc in PDB 9atn: uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2

All present enzymatic activity of uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2:
2.1.1.364;

The binding sites of Zinc atom in the uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2 (pdb code 9atn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2, PDB code: 9atn:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:0.0 occ:1.00 HB3 A:CYS232 2.1 0.0 1.0 SG A:CYS229 2.3 0.0 1.0 ND1 A:HIS252 2.3 0.0 1.0 SG A:CYS232 2.3 0.0 1.0 SG A:CYS255 2.3 0.0 1.0 CB A:CYS232 2.5 0.0 1.0 CE1 A:HIS252 2.8 0.0 1.0 HB2 A:CYS232 2.9 0.0 1.0 CG A:HIS252 3.0 0.0 1.0 HB2 A:HIS252 3.1 0.0 1.0 HE1 A:HIS252 3.1 0.0 1.0 CB A:CYS229 3.2 0.0 1.0 H A:HIS252 3.2 0.0 1.0 HB2 A:CYS229 3.2 0.0 1.0 HB3 A:CYS229 3.4 0.0 1.0 CB A:HIS252 3.6 0.0 1.0 NE2 A:HIS252 3.7 0.0 1.0 CD2 A:HIS252 3.8 0.0 1.0 CB A:CYS255 3.8 0.0 1.0 CA A:CYS232 4.0 0.0 1.0 HB2 A:CYS255 4.0 0.0 1.0 N A:HIS252 4.1 0.0 1.0 HB3 A:CYS255 4.2 0.0 1.0 O A:VAL231 4.2 0.0 1.0 HB3 A:HIS252 4.5 0.0 1.0 HE2 A:HIS252 4.5 0.0 1.0 CA A:HIS252 4.5 0.0 1.0 N A:CYS232 4.5 0.0 1.0 C A:CYS232 4.5 0.0 1.0 H A:CYS255 4.6 0.0 1.0 C A:VAL231 4.6 0.0 1.0 HA A:TYR251 4.6 0.0 1.0 CA A:CYS229 4.6 0.0 1.0 HD2 A:HIS252 4.6 0.0 1.0 HA A:CYS232 4.7 0.0 1.0 HB2 A:TYR251 4.8 0.0 1.0 HA A:CYS229 4.8 0.0 1.0 H A:GLU233 4.8 0.0 1.0 N A:GLU233 4.9 0.0 1.0 CA A:CYS255 5.0 0.0 1.0

Zinc binding site 2 out of 4 in the uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:0.0 occ:1.00 SG A:CYS270 2.3 0.0 1.0 SG A:CYS244 2.3 0.0 1.0 SG A:CYS247 2.3 0.0 1.0 SG A:CYS273 2.3 0.0 1.0 H A:CYS270 2.8 0.0 1.0 HG3 A:GLU272 2.9 0.0 1.0 HB2 A:CYS247 3.0 0.0 1.0 H A:CYS247 3.2 0.0 1.0 CB A:CYS247 3.2 0.0 1.0 CB A:CYS244 3.5 0.0 1.0 HG2 A:GLU272 3.5 0.0 1.0 HB2 A:CYS244 3.5 0.0 1.0 N A:CYS270 3.6 0.0 1.0 CG A:GLU272 3.6 0.0 1.0 HB3 A:CYS244 3.7 0.0 1.0 HA A:GLN269 3.7 0.0 1.0 HB3 A:CYS273 3.7 0.0 1.0 CB A:CYS273 3.7 0.0 1.0 CB A:CYS270 3.9 0.0 1.0 HB3 A:SER246 3.9 0.0 1.0 OE2 A:GLU272 3.9 0.0 1.0 N A:CYS247 3.9 0.0 1.0 HB3 A:CYS247 4.0 0.0 1.0 H A:CYS273 4.1 0.0 1.0 CA A:CYS247 4.2 0.0 1.0 CA A:CYS270 4.2 0.0 1.0 O A:CYS270 4.2 0.0 1.0 HB3 A:CYS270 4.3 0.0 1.0 HG2 A:GLN269 4.3 0.0 1.0 CD A:GLU272 4.3 0.0 1.0 N A:CYS273 4.4 0.0 1.0 HB2 A:CYS273 4.4 0.0 1.0 C A:GLN269 4.4 0.0 1.0 CA A:GLN269 4.5 0.0 1.0 HB3 A:GLN269 4.5 0.0 1.0 C A:CYS270 4.6 0.0 1.0 HB2 A:CYS270 4.6 0.0 1.0 HA A:CYS247 4.6 0.0 1.0 CA A:CYS273 4.7 0.0 1.0 CA A:CYS244 4.8 0.0 1.0 H A:GLU272 4.9 0.0 1.0 H A:SER246 4.9 0.0 1.0 CB A:SER246 4.9 0.0 1.0 CB A:GLU272 4.9 0.0 1.0 CB A:GLN269 4.9 0.0 1.0 HA A:CYS244 5.0 0.0 1.0

Zinc binding site 3 out of 4 in the uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn503 b:0.0 occ:1.00 ND1 A:HIS299 2.3 0.0 1.0 SG A:CYS279 2.3 0.0 1.0 SG A:CYS276 2.3 0.0 1.0 SG A:CYS302 2.3 0.0 1.0 HB2 A:HIS299 2.4 0.0 1.0 CG A:HIS299 2.7 0.0 1.0 CB A:HIS299 2.9 0.0 1.0 HB2 A:ALA278 3.0 0.0 1.0 HB3 A:CYS276 3.0 0.0 1.0 CB A:CYS276 3.0 0.0 1.0 HB2 A:CYS276 3.1 0.0 1.0 H A:CYS279 3.1 0.0 1.0 CE1 A:HIS299 3.2 0.0 1.0 HB3 A:HIS299 3.3 0.0 1.0 CD2 A:HIS299 3.7 0.0 1.0 HE1 A:HIS299 3.7 0.0 1.0 N A:CYS279 3.9 0.0 1.0 CB A:CYS279 3.9 0.0 1.0 CB A:ALA278 4.0 0.0 1.0 NE2 A:HIS299 4.0 0.0 1.0 H A:ALA278 4.0 0.0 1.0 HB1 A:ALA278 4.1 0.0 1.0 CB A:CYS302 4.1 0.0 1.0 HB3 A:CYS279 4.2 0.0 1.0 HE1 A:PHE301 4.2 0.0 1.0 H A:HIS299 4.2 0.0 1.0 CA A:HIS299 4.3 0.0 1.0 HB3 A:CYS302 4.4 0.0 1.0 CA A:CYS276 4.5 0.0 1.0 CA A:CYS279 4.5 0.0 1.0 HD2 A:HIS299 4.5 0.0 1.0 N A:HIS299 4.5 0.0 1.0 HD1 A:PHE301 4.6 0.0 1.0 O A:CYS302 4.6 0.0 1.0 HB2 A:CYS302 4.6 0.0 1.0 HB2 A:CYS279 4.7 0.0 1.0 HB3 A:ALA278 4.7 0.0 1.0 H A:ARG280 4.7 0.0 1.0 N A:ALA278 4.7 0.0 1.0 C A:ALA278 4.7 0.0 1.0 CA A:ALA278 4.7 0.0 1.0 HA A:HIS299 4.8 0.0 1.0 CE1 A:PHE301 4.8 0.0 1.0 HA A:CYS276 4.8 0.0 1.0 HE2 A:HIS299 4.9 0.0 1.0 H A:LYS281 4.9 0.0 1.0 C A:CYS302 4.9 0.0 1.0 HE2 A:MET288 4.9 0.0 1.0 CA A:CYS302 5.0 0.0 1.0

Zinc binding site 4 out of 4 in the uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of uc(Nmr) Structure of the MLL4 PHD2/3 Fingers in Complex with ASXL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn504 b:0.0 occ:1.00 HB3 A:CYS291 2.3 0.0 1.0 SG A:CYS291 2.3 0.0 1.0 SG A:CYS294 2.3 0.0 1.0 SG A:CYS317 2.3 0.0 1.0 SG A:CYS320 2.3 0.0 1.0 CB A:CYS291 2.7 0.0 1.0 H A:CYS317 2.8 0.0 1.0 HB2 A:CYS317 3.0 0.0 1.0 CB A:CYS317 3.2 0.0 1.0 H A:CYS294 3.3 0.0 1.0 HB2 A:CYS291 3.3 0.0 1.0 HD2 A:LYS296 3.6 0.0 1.0 CB A:CYS320 3.6 0.0 1.0 N A:CYS317 3.6 0.0 1.0 HB2 A:CYS320 3.7 0.0 1.0 HB3 A:LYS316 3.7 0.0 1.0 CB A:CYS294 4.0 0.0 1.0 CA A:CYS291 4.0 0.0 1.0 HA A:CYS291 4.0 0.0 1.0 HB3 A:CYS320 4.0 0.0 1.0 CA A:CYS317 4.1 0.0 1.0 HB3 A:CYS317 4.1 0.0 1.0 N A:CYS294 4.1 0.0 1.0 HZ2 A:LYS296 4.1 0.0 1.0 HB A:THR293 4.2 0.0 1.0 HB2 A:LYS296 4.2 0.0 1.0 H A:THR293 4.3 0.0 1.0 HB3 A:CYS294 4.3 0.0 1.0 O A:CYS294 4.4 0.0 1.0 CA A:CYS294 4.5 0.0 1.0 H A:CYS320 4.6 0.0 1.0 CD A:LYS296 4.6 0.0 1.0 C A:CYS294 4.7 0.0 1.0 HB2 A:CYS294 4.7 0.0 1.0 CB A:LYS316 4.7 0.0 1.0 HA A:CYS317 4.7 0.0 1.0 C A:CYS291 4.7 0.0 1.0 H A:GLU292 4.8 0.0 1.0 HG3 A:LYS296 4.8 0.0 1.0 C A:LYS316 4.8 0.0 1.0 HA A:LYS316 4.8 0.0 1.0 CA A:CYS320 4.9 0.0 1.0 HE1 A:TYR298 4.9 0.0 1.0 NZ A:LYS296 5.0 0.0 1.0

Y.Zhang, G.Xie, J.E.Lee, M.Zandian, D.Sudarshan, B.Estavoyer, C.Benz, T.Viita, G.Asgaritarghi, C.Lachance, C.Messmer, L.Simonetti, V.K.Sinha, J.P.Lambert, Y.W.Chen, S.P.Wang, Y.Ivarsson, E.B.Affar, J.Cote, K.Ge, T.G.Kutateladze. Asxls Binding to the PHD2/3 Fingers of MLL4 Provides A Mechanism For the Recruitment of BAP1 to Active Enhancers. Nat Commun V. 15 4883 2024.
ISSN: ESSN 2041-1723
PubMed: 38849395
DOI: 10.1038/S41467-024-49391-X