Magnesium in PDB 6f7i: Human MALT1(329-728) in Complex with Mlt-747

The structure of Human MALT1(329-728) in Complex with Mlt-747, PDB code: 6f7i was solved by M.Renatus, M.Renatus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.26 / 2.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.200, 108.970, 73.510, 90.00, 111.79, 90.00
R / Rfree (%)	19 / 21.8

The structure of Human MALT1(329-728) in Complex with Mlt-747 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Human MALT1(329-728) in Complex with Mlt-747 (pdb code 6f7i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human MALT1(329-728) in Complex with Mlt-747, PDB code: 6f7i:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human MALT1(329-728) in Complex with Mlt-747


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human MALT1(329-728) in Complex with Mlt-747 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:69.5 occ:1.00 OE2 A:GLU653 2.9 75.8 1.0 N A:GLY649 3.0 58.2 1.0 OE1 A:GLU653 3.4 73.3 1.0 CD A:GLU653 3.5 78.5 1.0 CA A:LYS648 3.6 55.0 1.0 C A:LYS648 3.7 61.0 1.0 CA A:GLY649 3.9 58.5 1.0 CD A:LYS648 3.9 64.5 1.0 CB A:LYS648 4.0 55.6 1.0 O A:ASN647 4.5 60.5 1.0 CG A:LYS648 4.6 62.3 1.0 N A:LYS648 4.8 55.3 1.0 CG A:GLU653 4.9 61.5 1.0 O A:LYS648 4.9 60.4 1.0 N A:THR650 5.0 60.2 1.0 C A:GLY649 5.0 64.0 1.0

Magnesium binding site 2 out of 2 in the Human MALT1(329-728) in Complex with Mlt-747


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human MALT1(329-728) in Complex with Mlt-747 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg803 b:82.4 occ:1.00 OE2 A:GLU652 2.3 84.5 1.0 CE1 A:TYR657 3.0 91.6 1.0 CD1 A:TYR657 3.2 89.2 1.0 OG A:SER660 3.2 95.6 1.0 CD A:GLU652 3.5 91.0 1.0 CB A:SER660 3.9 88.7 1.0 CG A:GLU652 4.3 70.0 1.0 CZ A:TYR657 4.3 97.0 1.0 OE1 A:GLU652 4.4 73.8 1.0 CG A:TYR657 4.5 86.8 1.0 O A:TYR657 4.5 84.5 1.0 OH A:TYR657 4.9 97.8 1.0

J.Quancard, T.Klein, S.Y.Fung, M.Renatus, N.Hughes, L.Israel, J.J.Priatel, S.Kang, M.A.Blank, R.I.Viner, J.Blank, A.Schlapbach, P.Erbel, J.Kizhakkedathu, F.Villard, R.Hersperger, S.E.Turvey, J.Eder, F.Bornancin, C.M.Overall. An Allosteric MALT1 Inhibitor Is A Molecular Corrector Rescuing Function in An Immunodeficient Patient. Nat. Chem. Biol. V. 15 304 2019.
ISSN: ESSN 1552-4469
PubMed: 30692685
DOI: 10.1038/S41589-018-0222-1