Zinc in PDB 6nm4: Crystal Structure of Sam-Bound PRDM9 in Complex with Mrk-740 Inhibitor

All present enzymatic activity of Crystal Structure of Sam-Bound PRDM9 in Complex with Mrk-740 Inhibitor:
2.1.1.43;

The structure of Crystal Structure of Sam-Bound PRDM9 in Complex with Mrk-740 Inhibitor, PDB code: 6nm4 was solved by D.Ivanochko, L.Halabelian, C.Fischer, J.M.Sanders, S.D.Kattar, P.J.Brown, A.M.Edwards, C.Bountra, C.H.Arrowsmith, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.88 / 2.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.026, 74.800, 141.435, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 25.8

The binding sites of Zinc atom in the Crystal Structure of Sam-Bound PRDM9 in Complex with Mrk-740 Inhibitor (pdb code 6nm4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Sam-Bound PRDM9 in Complex with Mrk-740 Inhibitor, PDB code: 6nm4:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Sam-Bound PRDM9 in Complex with Mrk-740 Inhibitor


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 Sam-Bound PRDM9 in Complex with Mrk-740 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:59.2 occ:1.00 ND1 A:HIS219 2.1 60.4 1.0 SG A:CYS205 2.3 55.3 1.0 SG A:CYS208 2.3 68.0 1.0 SG A:CYS216 2.3 52.5 1.0 CE1 A:HIS219 3.0 64.1 1.0 CG A:HIS219 3.1 58.1 1.0 CB A:CYS205 3.3 53.1 1.0 CB A:CYS208 3.4 65.2 1.0 CB A:CYS216 3.5 50.6 1.0 CB A:HIS219 3.5 54.0 1.0 N A:CYS208 3.8 67.8 1.0 N A:HIS219 4.0 52.4 1.0 NE2 A:HIS219 4.2 65.8 1.0 CA A:CYS208 4.2 66.4 1.0 CD2 A:HIS219 4.2 62.6 1.0 CA A:HIS219 4.4 52.5 1.0 CB A:ALA218 4.6 55.5 1.0 CB A:MET207 4.6 80.2 1.0 CA A:CYS205 4.7 52.7 1.0 C A:ALA218 4.7 54.5 1.0 C A:MET207 4.8 70.6 1.0 CA A:CYS216 4.8 50.4 1.0 N A:ALA218 4.9 53.9 1.0 CA A:ALA218 5.0 55.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Sam-Bound PRDM9 in Complex with Mrk-740 Inhibitor


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 Sam-Bound PRDM9 in Complex with Mrk-740 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:88.0 occ:1.00 ND1 B:HIS219 2.3 0.8 1.0 SG B:CYS205 2.3 76.1 1.0 SG B:CYS208 2.3 96.0 1.0 SG B:CYS216 2.3 81.5 1.0 CG B:HIS219 3.2 0.9 1.0 CE1 B:HIS219 3.3 0.4 1.0 CB B:CYS205 3.3 73.4 1.0 CB B:CYS216 3.4 79.5 1.0 CB B:HIS219 3.5 99.0 1.0 CB B:CYS208 3.5 93.1 1.0 N B:HIS219 3.9 0.5 1.0 N B:CYS208 4.0 90.4 1.0 CA B:CYS208 4.3 92.0 1.0 CA B:HIS219 4.3 0.1 1.0 NE2 B:HIS219 4.4 0.9 1.0 CD2 B:HIS219 4.4 0.3 1.0 CB B:ALA218 4.4 0.3 1.0 C B:ALA218 4.6 0.5 1.0 CA B:CYS205 4.7 69.6 1.0 CB B:MET207 4.8 94.6 1.0 CA B:CYS216 4.8 81.0 1.0 CA B:ALA218 4.9 0.7 1.0 N B:ALA218 5.0 99.5 1.0 C B:MET207 5.0 91.7 1.0

D.Ivanochko, L.Halabelian, C.Fischer, J.M.Sanders, S.D.Kattar, P.J.Brown, A.M.Edwards, C.Bountra, C.H.Arrowsmith. Crystal Structure of Sam-Bound PRDM9 in Complex with Mrk-740 Inhibitor To Be Published.