Chlorine in PDB 7a41: MALT1 in Complex with A Nvs-MALT1 Chemical Probe

The structure of MALT1 in Complex with A Nvs-MALT1 Chemical Probe, PDB code: 7a41 was solved by M.Renatus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.56 / 2.13
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.210, 106.570, 73.680, 90.00, 111.84, 90.00
R / Rfree (%)	20 / 23

The structure of MALT1 in Complex with A Nvs-MALT1 Chemical Probe also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the MALT1 in Complex with A Nvs-MALT1 Chemical Probe (pdb code 7a41). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the MALT1 in Complex with A Nvs-MALT1 Chemical Probe, PDB code: 7a41:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the MALT1 in Complex with A Nvs-MALT1 Chemical Probe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of MALT1 in Complex with A Nvs-MALT1 Chemical Probe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:45.7 occ:1.00 CL1 A:QYQ801 0.0 45.7 1.0 C10 A:QYQ801 1.7 43.9 1.0 N9 A:QYQ801 2.7 43.0 1.0 C11 A:QYQ801 2.8 43.2 1.0 O A:LYS379 3.1 37.9 1.0 C A:LYS379 3.6 37.3 1.0 CB A:LYS379 3.6 38.5 1.0 N8 A:QYQ801 3.8 42.7 1.0 C7 A:QYQ801 3.8 42.8 1.0 CB A:VAL344 3.9 39.0 1.0 CG1 A:VAL344 3.9 39.7 1.0 CD1 A:TRP580 3.9 48.2 1.0 CD1 A:LEU401 4.2 40.1 1.0 N A:VAL380 4.2 36.7 1.0 CB A:TRP580 4.2 45.5 1.0 O A:ALA345 4.2 33.5 1.0 N A:ALA345 4.2 35.5 1.0 CA A:VAL344 4.3 38.3 1.0 CA A:LYS379 4.3 37.0 1.0 CG A:TRP580 4.3 47.1 1.0 CG2 A:VAL381 4.4 38.4 1.0 CA A:VAL380 4.5 36.2 1.0 C A:VAL380 4.5 37.1 1.0 N A:VAL381 4.5 36.7 1.0 C A:VAL344 4.7 37.2 1.0 NE1 A:TRP580 4.8 49.2 1.0 CG A:LYS379 4.9 42.8 1.0 CD A:LYS379 4.9 47.2 1.0 CB A:VAL381 5.0 37.8 1.0 C A:ALA345 5.0 34.1 1.0

Chlorine binding site 2 out of 2 in the MALT1 in Complex with A Nvs-MALT1 Chemical Probe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of MALT1 in Complex with A Nvs-MALT1 Chemical Probe within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:45.8 occ:1.00 CL1 B:QYQ802 0.0 45.8 1.0 C10 B:QYQ802 1.7 43.5 1.0 N9 B:QYQ802 2.6 42.7 1.0 C11 B:QYQ802 2.8 42.4 1.0 O B:LYS379 3.1 33.6 1.0 CB B:LYS379 3.5 34.9 1.0 C B:LYS379 3.6 33.2 1.0 CG1 B:VAL344 3.8 34.2 1.0 N8 B:QYQ802 3.8 42.8 1.0 CB B:VAL344 3.8 34.2 1.0 C7 B:QYQ802 3.8 42.2 1.0 CD1 B:TRP580 3.9 45.3 1.0 CB B:TRP580 4.2 42.4 1.0 O B:ALA345 4.2 31.0 1.0 N B:ALA345 4.2 32.5 1.0 CD1 B:LEU401 4.2 40.4 1.0 CA B:VAL344 4.2 33.6 1.0 N B:VAL380 4.2 31.9 1.0 CG B:TRP580 4.2 44.3 1.0 CA B:LYS379 4.2 33.0 1.0 CG2 B:VAL381 4.3 32.9 1.0 CA B:VAL380 4.5 31.0 1.0 C B:VAL380 4.5 31.5 1.0 N B:VAL381 4.5 31.2 1.0 C B:VAL344 4.7 33.3 1.0 CG B:LYS379 4.8 38.4 1.0 CD B:LYS379 4.8 43.3 1.0 NE1 B:TRP580 4.8 46.1 1.0 C B:ALA345 4.9 31.5 1.0

M.Renatus, M.Renatus. N/A N/A.