Magnesium in PDB 7nhh: Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002

All present enzymatic activity of Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002:
2.1.1.348;

The structure of Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002, PDB code: 7nhh was solved by R.K.Bedi, D.Huang, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.67 / 2.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.05, 64.05, 226.02, 90, 90, 120
R / Rfree (%)	20.7 / 25

The binding sites of Magnesium atom in the Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002 (pdb code 7nhh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002, PDB code: 7nhh:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:56.9 occ:1.00 NE2 A:HIS478 2.2 60.5 1.0 CA A:GLY473 2.2 66.5 1.0 OE2 B:GLU257 2.5 58.2 1.0 CE1 A:HIS478 2.5 65.0 1.0 C A:GLY473 2.9 67.5 1.0 OE1 B:GLU257 2.9 51.1 1.0 CD B:GLU257 3.0 56.5 1.0 O A:GLY473 3.1 73.5 1.0 N A:GLY473 3.5 67.5 1.0 O B:CYS256 3.5 49.2 1.0 CD2 A:HIS478 3.5 56.2 1.0 ND1 A:HIS478 3.8 64.3 1.0 N A:HIS474 3.9 69.5 1.0 O A:HIS474 4.0 76.5 1.0 O A:HOH735 4.2 60.7 1.0 O A:LEU476 4.3 56.1 1.0 CG A:HIS478 4.3 58.8 1.0 CG B:GLU257 4.4 51.9 1.0 C B:CYS256 4.7 47.6 1.0 O B:HOH526 4.7 46.5 1.0 C A:HIS474 4.8 69.5 1.0 CA A:HIS474 4.9 65.2 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:58.1 occ:1.00 NE2 A:HIS512 2.0 65.7 1.0 OD1 A:ASP515 2.8 56.9 1.0 CE1 A:HIS512 2.8 67.4 1.0 CD2 A:HIS512 3.2 70.0 1.0 CG A:ASP515 3.3 60.3 1.0 OD2 A:ASP515 3.5 66.5 1.0 ND1 A:HIS512 4.0 70.3 1.0 CG A:HIS512 4.2 71.4 1.0 O A:HOH744 4.5 54.8 1.0 CB A:ASP515 4.6 56.8 1.0 O A:LYS513 4.7 58.8 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:38.4 occ:1.00 O A:VAL502 2.5 44.4 1.0 SG B:CYS120 2.8 57.9 1.0 O A:CYS500 3.3 43.8 1.0 SG A:CYS500 3.3 55.2 1.0 CG B:PRO130 3.4 49.7 1.0 CB B:CYS120 3.6 57.1 1.0 C A:VAL502 3.7 42.2 1.0 CA B:CYS120 4.0 62.5 1.0 N A:CYS500 4.0 43.5 1.0 C A:CYS500 4.0 43.2 1.0 CD B:PRO130 4.1 51.8 1.0 N A:VAL502 4.3 40.9 1.0 SD A:MET520 4.3 49.0 1.0 CA A:CYS500 4.4 44.2 1.0 OD2 A:ASP499 4.4 45.1 1.0 CB A:CYS500 4.5 45.3 1.0 CB A:ASP499 4.5 45.4 1.0 N A:ILE503 4.5 42.0 1.0 O A:HOH738 4.5 51.9 1.0 CB B:PRO130 4.6 52.3 1.0 CA A:VAL502 4.6 42.2 1.0 CA A:ILE503 4.6 42.8 1.0 CG1 A:ILE503 4.6 43.1 1.0 N B:CYS120 4.8 61.2 1.0 C A:ASP499 5.0 43.1 1.0 N A:ASP501 5.0 41.4 1.0 CG A:ASP499 5.0 45.2 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:38.8 occ:1.00 NE2 B:HIS336 2.1 54.2 1.0 OD2 B:ASP157 2.1 60.2 1.0 CE1 B:HIS336 2.6 52.4 1.0 OD1 B:ASP157 2.6 62.2 1.0 CG B:ASP157 2.7 62.4 1.0 ND1 B:HIS332 2.7 54.9 1.0 CD2 B:HIS336 3.3 47.1 1.0 CG B:HIS332 3.5 51.7 1.0 CB B:HIS332 3.5 45.2 1.0 CE1 B:HIS332 3.7 58.4 1.0 ND1 B:HIS336 3.8 49.7 1.0 CB B:ASP157 4.1 58.6 1.0 CG B:HIS336 4.2 43.9 1.0 CA B:HIS332 4.4 41.3 1.0 CD2 B:HIS332 4.7 49.6 1.0 NE2 B:HIS332 4.8 56.1 1.0 O B:HIS332 4.8 43.9 1.0 C B:HIS332 4.9 44.0 1.0

R.K.Bedi, D.Huang, A.Caflisch. Crystal Structure of the Human METTL3-METTL14 Complex with Compound UOZ002 To Be Published.