Chlorine in PDB 6h4a: Human MALT1(329-728) in Complex with Mlt-748

The structure of Human MALT1(329-728) in Complex with Mlt-748, PDB code: 6h4a 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)	47.41 / 2.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.930, 68.930, 56.750, 90.00, 92.65, 90.00
R / Rfree (%)	19 / 24

The binding sites of Chlorine atom in the Human MALT1(329-728) in Complex with Mlt-748 (pdb code 6h4a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human MALT1(329-728) in Complex with Mlt-748, PDB code: 6h4a:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human MALT1(329-728) in Complex with Mlt-748


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human MALT1(329-728) in Complex with Mlt-748 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:64.4 occ:1.00 CL6 A:FNB801 0.0 64.4 1.0 C4 A:FNB801 1.7 56.8 1.0 N3 A:FNB801 2.6 54.5 1.0 C5 A:FNB801 2.8 51.7 1.0 O A:LYS379 3.0 61.5 1.0 CB A:LYS379 3.4 63.6 1.0 C A:LYS379 3.5 63.1 1.0 CD1 A:TRP580 3.5 86.8 1.0 CG2 A:VAL344 3.6 69.3 1.0 N1 A:FNB801 3.8 51.1 1.0 C2 A:FNB801 3.8 50.3 1.0 CA A:LYS379 4.1 62.0 1.0 NE1 A:TRP580 4.2 84.9 1.0 CA A:VAL344 4.2 65.4 1.0 N A:ALA345 4.3 57.1 1.0 CB A:VAL344 4.3 69.4 1.0 N A:VAL380 4.3 58.5 1.0 O A:ALA345 4.3 55.3 1.0 CG2 A:VAL381 4.4 46.5 1.0 CG A:TRP580 4.6 85.7 1.0 CG A:LYS379 4.7 63.7 1.0 C A:VAL344 4.7 65.7 1.0 CA A:VAL380 4.8 54.7 1.0 CG1 A:VAL344 4.8 67.0 1.0 N A:VAL381 4.8 46.4 1.0 CD1 A:LEU401 4.8 65.0 1.0 C A:VAL380 4.8 53.8 1.0 N A:LYS379 4.9 65.7 1.0 CD A:LYS379 5.0 73.3 1.0 C10 A:FNB801 5.0 54.6 1.0

Chlorine binding site 2 out of 2 in the Human MALT1(329-728) in Complex with Mlt-748


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human MALT1(329-728) in Complex with Mlt-748 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:59.6 occ:1.00 CL2 A:FNB801 0.0 59.6 1.0 C21 A:FNB801 1.8 54.6 1.0 C22 A:FNB801 2.8 49.2 1.0 C20 A:FNB801 2.8 54.4 1.0 N24 A:FNB801 3.2 56.4 1.0 N25 A:FNB801 3.4 56.7 1.0 CB A:GLN676 3.7 46.3 1.0 CB A:GLU390 3.8 52.4 1.0 CD2 A:LEU386 3.8 49.9 1.0 CG A:GLN676 3.8 45.0 1.0 O A:GLU390 3.9 55.6 1.0 N19 A:FNB801 4.1 54.7 1.0 C17 A:FNB801 4.1 49.1 1.0 CD1 A:LEU386 4.2 48.7 1.0 CD1 A:LEU383 4.2 46.1 1.0 CA A:GLU390 4.2 52.2 1.0 N28 A:FNB801 4.2 56.4 1.0 CG A:GLU390 4.2 51.7 1.0 C A:GLU390 4.3 53.8 1.0 C26 A:FNB801 4.4 56.3 1.0 CB A:ALA394 4.5 49.4 1.0 C18 A:FNB801 4.6 49.4 1.0 CG A:LEU386 4.6 49.0 1.0 CD2 A:LEU383 4.7 46.5 1.0 O A:HOH922 4.8 76.1 1.0 C27 A:FNB801 4.8 55.1 1.0 CD A:GLN676 4.9 53.1 1.0 CD A:GLU390 4.9 67.8 1.0 CG A:LEU383 5.0 46.4 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